Consensus flow list

Identity

Type
Neutral molecule
CAS
483-65-8
EC
207-597-9
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for 7-isopropyl-1-methylphenanthrene

Alternative labels

6

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string NXLOLUFNDSBYTP-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C18H18/c1-12(2)14-7-10-17-15(11-14)8-9-16-13(3)5-4-6-18(16)17/h4-12H,1-3H3
IUPAC name chemrof:IUPAC_name 7-isopropyl-1-methylphenanthrene
Molecular formula chemrof:molecular_formula C18H18
Molecular mass chemrof:molecular_mass 234.342
Monoisotopic mass chemrof:monoisotopic_mass 234.140851
SMILES string chemrof:smiles_string Cc1cccc2c1ccc1cc(C(C)C)ccc12

Known URLs

10

Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.

Resource URL Recorded by
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=483-65-8 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.006.908 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID7058701 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=26317 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/0W2D2E1P9Q enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0257170 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J5.990K enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/10222 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q7316667 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Retene enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
d12f6cd2-8f12-4f3e-925c-95dd622daf29 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
6900c10c-855f-4262-9045-ce076360cdb2 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
b11cbae7-f459-4ac7-b85a-1b4ccf35d4c0 Environmental → Air → Indoor EF 3.1 kg 2
57ee3030-09ca-44d0-ae91-0f70537c1926 Environmental → Air → Long-term EF 3.1 kg 0
b09c0f5f-f09c-447e-8524-6fc70b482b6c Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
d61b3986-4319-4885-9bec-2c5bdffc8ca0 Environmental → Air → Unknown EF 3.1 kg 2
5db6d1b9-b6ee-4797-baeb-06662c7f83bc Environmental → Ground → Agricultural EF 3.1 kg 2
ba71ccc5-ea2d-4e3a-a0c6-1d3012c2988c Environmental → Ground → Non-agricultural EF 3.1 kg 2
4e70f0dd-9f9c-4ad1-ae1a-c1d4a13278fe Environmental → Ground → Unknown EF 3.1 kg 2
9107e47b-ab14-477b-891b-3b77d41f45c1 Environmental → Water → Long-term EF 3.1 kg 0
9bf96c74-87e3-4f98-90a6-f436414213ae Environmental → Water → Ocean EF 3.1 kg 2
df204625-00a0-4fe5-af64-a4f5a51bd6f7 Environmental → Water → Surface water EF 3.1 kg 2
04e10a33-c457-4138-a3fd-f4d696a2b6c2 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-ed3261c792c354bf",
  "prefLabel": [
    {
      "@value": "7-isopropyl-1-methylphenanthrene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "bootstrap_labels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1-Methyl-7-(1-methylethyl)phenanthrene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:483-65-8",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=483-65-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1-Methyl-7-isopropylphenanthrene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:483-65-8",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=483-65-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1-Methyl-7-propan-2-ylphenanthrene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:483-65-8",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=483-65-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Phenanthrene, 1-methyl-7-(1-methylethyl)-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:483-65-8",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=483-65-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Phenanthrene, 7-isopropyl-1-methyl-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:483-65-8",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=483-65-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Retene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:483-65-8",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=483-65-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C18H18"
      ],
      "attested_by": {
        "C18H18": [
          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "Molecular formula",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:10222"
          ],
          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Cc1cccc2c1ccc1cc(C(C)C)ccc12"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "NXLOLUFNDSBYTP-UHFFFAOYSA-N"
      ],
      "attested_by": {
        "NXLOLUFNDSBYTP-UHFFFAOYSA-N": [
          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "InChIKey",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:10222"
          ],
          "prov:wasDerivedFrom": "pubchem.props.InChIKey"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Cc1cccc2c1ccc1cc(C(C)C)ccc12"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "rdfs:label": "SMILES",
      "@value": [
        "Cc1cccc2c1ccc1cc(C(C)C)ccc12"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "7-isopropyl-1-methylphenanthrene"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Cc1cccc2c1ccc1cc(C(C)C)ccc12"
          ]
        }
      ],
      "attested_by": {
        "Cc1cccc2c1ccc1cc(C(C)C)ccc12": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
      "@value": [
        "InChI=1S/C18H18/c1-12(2)14-7-10-17-15(11-14)8-9-16-13(3)5-4-6-18(16)17/h4-12H,1-3H3"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "7-isopropyl-1-methylphenanthrene"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Cc1cccc2c1ccc1cc(C(C)C)ccc12"
          ]
        }
      ],
      "attested_by": {
        "InChI=1S/C18H18/c1-12(2)14-7-10-17-15(11-14)8-9-16-13(3)5-4-6-18(16)17/h4-12H,1-3H3": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "rdfs:label": "IUPAC name",
      "@value": [
        "7-isopropyl-1-methylphenanthrene"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "opsin_iupac",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "7-isopropyl-1-methylphenanthrene"
        ]
      },
      "attested_by": {
        "7-isopropyl-1-methylphenanthrene": [
          "opsin_iupac"
        ]
      }
    },
    "https://w3id.org/chemrof/molecular_mass": {
      "@id": "https://w3id.org/chemrof/molecular_mass",
      "rdfs:label": "Molecular mass",
      "@value": [
        234.342
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CC1=C2C=CC3=C(C2=CC=C1)C=CC(=C3)C(C)C"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Cc1cccc2c1ccc1cc(C(C)C)ccc12"
          ]
        }
      ],
      "attested_by": {
        "234.342": [
          "rdkit_post_consensus",
          "rdkit_pre_consensus"
        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
      "@id": "https://w3id.org/chemrof/monoisotopic_mass",
      "rdfs:label": "Monoisotopic mass",
      "@value": [
        234.140851
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CC1=C2C=CC3=C(C2=CC=C1)C=CC(=C3)C(C)C"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Cc1cccc2c1ccc1cc(C(C)C)ccc12"
          ]
        }
      ],
      "attested_by": {
        "234.140851": [
          "rdkit_post_consensus",
          "rdkit_pre_consensus"
        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    }
  },
  "references": [
    {
      "@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J5.990K",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:10222;CAS:483-65-8"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[483-65-8]"
      }
    },
    {
      "@id": "https://chem.echa.europa.eu/100.006.908",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:10222;CAS:483-65-8"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[483-65-8]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=483-65-8",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "483-65-8"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID7058701",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:10222;CAS:483-65-8"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[483-65-8]"
      }
    },
    {
      "@id": "https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=26317",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:10222;CAS:483-65-8"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[483-65-8]"
      }
    },
    {
      "@id": "https://en.wikipedia.org/wiki/Retene",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:10222;CAS:483-65-8"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[483-65-8]"
      }
    },
    {
      "@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/0W2D2E1P9Q",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:10222;CAS:483-65-8"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[483-65-8]"
      }
    },
    {
      "@id": "https://hmdb.ca/metabolites/HMDB0257170",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:10222;CAS:483-65-8"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[483-65-8]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/10222",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:10222;CAS:483-65-8"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[483-65-8]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q7316667",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:10222;CAS:483-65-8"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[483-65-8]"
      }
    }
  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "04e10a33-c457-4138-a3fd-f4d696a2b6c2",
    "seed_source": "EF 3.1",
    "semantic_typing": {
      "rule": "neutral_molecule",
      "reason": "",
      "types": [
        "https://w3id.org/chemrof/NeutralMolecule"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "semantic_typing.classify",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:wasDerivedFrom": "semantic_typing.rule.neutral_molecule"
      }
    }
  },
  "classifications": {
    "http://semanticscience.org/resource/CHEMINF_000446": {
      "@value": [
        "483-65-8"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=483-65-8"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=483-65-8"
        }
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    "http://semanticscience.org/resource/CHEMINF_000447": {
      "@value": [
        "207-597-9"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=207-597-9"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "ec_numbers"
      }
    }
  },
  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ]
}

Keyboard

?
Show or hide this map
Esc
Close

More as the sections are built.