Brightway Flows 1.0
GitHub

Chalcone

fo-065dc0defa8887c0

Identity

Type
Neutral molecule
CAS
94-41-7
EC
202-330-2
Origin
EF 3.1 hybrid_name_cas_v1
Changes
57 across every transformer

Structure

Structure diagram for Chalcone

Alternative labels

41

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string DQFBYFPFKXHELB-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C15H12O/c16-15(14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1-12H
IUPAC name chemrof:IUPAC_name 1,3-Diphenyl-2-propen-1-one
Molecular formula chemrof:molecular_formula C15H12O
Molecular mass chemrof:molecular_mass 208.26
Monoisotopic mass chemrof:monoisotopic_mass 208.088815, 208.08882
SMILES string chemrof:smiles_string O=C(C=Cc1ccccc1)c1ccccc1

Known URLs

7

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=94-41-7 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:27618 enrich_references.chebi_id_link
gmelin gmelin:29124 enrich_references.chebi_xrefs
KEGG https://www.genome.jp/entry/C01484 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24510324 enrich_references.chebi_xrefs
reaxys reaxys:509985 enrich_references.chebi_xrefs
Wikipedia https://en.wikipedia.org/wiki/Chalcone enrich_references.chebi_xrefs

Elementary flows

13
Flow Context Source Unit CFs
c85d78da-1b78-4984-a3dc-a0230913c820 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
a3dfb7d0-19e7-4afc-b3fa-acb99749bd4b Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
d3b365bc-b400-4de9-854b-cd1a7733c550 Environmental → Air → Indoor EF 3.1 kg 2
32785e26-3cd9-4072-bd94-71522503f411 Environmental → Air → Long-term EF 3.1 kg 0
ba89b904-4756-4c1b-b000-249f969db992 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
48c54ccb-1803-4a80-aae8-0ca074e2c71d Environmental → Air → Unknown EF 3.1 kg 2
536b0b6f-0d94-4e13-a670-1f816b7de843 Environmental → Ground → Agricultural EF 3.1 kg 2
4b079356-316c-44be-bf7a-5915662289fc Environmental → Ground → Non-agricultural EF 3.1 kg 2
c9c213af-e03e-4eb6-93d1-cb77a0b4234e Environmental → Ground → Unknown EF 3.1 kg 2
1c9403ee-2892-4269-8f89-8586ab6a2089 Environmental → Water → Long-term EF 3.1 kg 0
3ea62b1f-67b6-4231-912a-75c08c6a91c7 Environmental → Water → Ocean EF 3.1 kg 2
e96fed99-eb8c-4b26-88e7-86c83c7c9bd8 Environmental → Water → Surface water EF 3.1 kg 2
2ff095db-81e4-41db-9a4c-6f22776cf693 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (57 changes)

Open the changes page

Full record

Flow object JSON 
{
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    {
      "@value": "(E)-1,3-diphenyl-2-propen-1-one",
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      "@value": "1,3-Diphenyl-3-oxo-1-propene",
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    {
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      "@value": "1-Benzoyl-2-phenylethene",
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    },
    {
      "@value": "1-Benzoyl-2-phenylethylene",
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        ],
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    },
    {
      "@value": "1-Phenyl-2-benzoylethylene",
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    },
    {
      "@value": "2-Benzalacetophenone",
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    },
    {
      "@value": "2-Benzylideneacetophenone",
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        ],
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      }
    },
    {
      "@value": "2-Propen-1-one, 1,3-diphenyl-",
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    },
    {
      "@value": "3-Phenylacrylophenone",
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    },
    {
      "@value": "alpha-benzylideneacetophenone",
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    },
    {
      "@value": "Benzalacetophenone",
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      }
    },
    {
      "@value": "Benzylideneacetophenone",
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      "@lang": "en",
      "provenance": {
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Benzylidenecetophenone",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
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          "https://commonchemistry.cas.org/detail?cas_rn=94-41-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "beta-benzoylstyrene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "beta-phenylacrylophenone",
      "@language": "en",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Chalkon",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Chalkone",
      "@language": "en",
      "@lang": "en",
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          "https://commonchemistry.cas.org/detail?cas_rn=94-41-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Cinnamophenone",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "brightway-flows",
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          "https://commonchemistry.cas.org/detail?cas_rn=94-41-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "MeSH ID: D002599",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "https://commonchemistry.cas.org/detail?cas_rn=94-41-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "phenyl (E)--2-phenylethenyl ketone",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "brightway-flows",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Phenyl 2-phenylethenyl ketone",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "brightway-flows",
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          "https://commonchemistry.cas.org/detail?cas_rn=94-41-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Phenyl 2-phenylvinyl ketone",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
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        ],
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      }
    },
    {
      "@value": "Phenyl styryl ketone",
      "@language": "en",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "phenyl trans-styryl ketone",
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      }
    },
    {
      "@value": "styryl phenyl ketone",
      "@language": "en",
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    },
    {
      "@value": "trans-benzalacetophenone",
      "@language": "en",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "trans-benzylideneacetophenone",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "brightway-flows",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "α-Benzylideneacetophenone",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "brightway-flows",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "β-Benzoylstyrene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "brightway-flows",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "β-Phenylacrylophenone",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "brightway-flows",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "ω-Benzylideneacetophenone",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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