Consensus flow list

Identity

Type
Neutral molecule
CAS
304-21-2
EC
206-152-6
Origin
EF 3.1 hybrid_name_cas_v1
Changes
57 across every transformer

Structure

Structure diagram for Harmaline

Alternative labels

14

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string RERZNCLIYCABFS-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C13H14N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-4,7,15H,5-6H2,1-2H3
IUPAC name chemrof:IUPAC_name Harmaline
Molecular formula chemrof:molecular_formula C13H14N2O
Molecular mass chemrof:molecular_mass 214.268
Monoisotopic mass chemrof:monoisotopic_mass 214.11061, 214.110613
SMILES string chemrof:smiles_string COc1ccc2c3c([nH]c2c1)C(C)=NCC3

Known URLs

22

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=304-21-2 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:28172 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.005.594 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID8041038 enrich_references.pubchem_identifier_url
drugbank.ca https://www.drugbank.ca/drugs/DB13875 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=407285 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=789037 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL340807 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/CN58I4TOET enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0030310 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J11.607F enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C06536 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C06536 enrich_references.pubchem_identifier_url
knapsack knapsack:C00001735 enrich_references.chebi_xrefs
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=51608 enrich_references.pubchem_identifier_url
pharos.nih.gov https://pharos.nih.gov/ligands/PZTG1483H3BH enrich_references.pubchem_identifier_url
platform.opentargets.org https://platform.opentargets.org/drug/CHEMBL340807 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/3564 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=565711 enrich_references.pubchem_identifier_url
reaxys reaxys:207310 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q104252234 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Harmaline enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
c125d031-3a50-4f6a-8c35-d122973b4c50 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
20929ec7-338b-4bef-9dbd-c374e34cfdfd Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
e01be821-68f5-4a8f-892d-767de8bbee8b Environmental → Air → Indoor EF 3.1 kg 2
79dff3aa-d6c3-43fe-bdf3-084e94ef90e8 Environmental → Air → Long-term EF 3.1 kg 0
88272066-318a-43b0-94f0-321505edabe4 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
e1e7c0ed-1ef1-435e-bdfc-81ffc2bbf3d1 Environmental → Air → Unknown EF 3.1 kg 2
7e2418fb-0063-40b2-b4b5-3610afde4c89 Environmental → Ground → Agricultural EF 3.1 kg 2
b7b1edd7-c1dc-4092-9683-b80e147641de Environmental → Ground → Non-agricultural EF 3.1 kg 2
27894423-3bf1-42cb-bdc7-6fb9f973c7ae Environmental → Ground → Unknown EF 3.1 kg 2
5cc0a5ee-9a56-42f7-ba4e-c1352999dc70 Environmental → Water → Long-term EF 3.1 kg 0
48f42a61-2f45-4344-a100-8e4c274869ca Environmental → Water → Ocean EF 3.1 kg 2
5c0bc4fd-0657-46fe-80d3-0fb01fa3de3c Environmental → Water → Surface water EF 3.1 kg 2
87e94c70-9abf-4af3-817d-38d762d638ee 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
{
  "flow_object_id": "fo-c1e6eb62637d8b0b",
  "prefLabel": [
    {
      "@value": "Harmaline",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1-Methyl-7-methoxy-3,4-dihydro-β-carboline",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=304-21-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "3,4-Dihydro-7-methoxy-1-methyl-9H-pyrido[3,4-b]indole",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=304-21-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "3,4-Dihydroharmine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
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          "http://purl.obolibrary.org/obo/CHEBI_28172"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "3H-Pyrido[3,4-b]indole, 4,9-dihydro-7-methoxy-1-methyl-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4,9-Dihydro-7-methoxy-1-methyl-3H-pyrido[3,4-b]indole",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "7-methoxy-1-methyl-4,9-dihydro-3H-beta-carboline",
      "@language": "en",
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      "provenance": {
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "7-methoxy-1-methyl-4,9-dihydro-3H-pyrido[3,4-b]indole",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasDerivedFrom": "chebi synonym match"
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    },
    {
      "@value": "Armalin",
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      "provenance": {
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        "prov:wasDerivedFrom": "chebi synonym match"
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    },
    {
      "@value": "Dihydroharmine",
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      "provenance": {
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    },
    {
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Harmalol methyl ether",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasDerivedFrom": "chebi synonym match"
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    },
    {
      "@value": "Harmidine",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "MeSH ID: D006246",
      "@language": "en",
      "@lang": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "O-Methylharmalol",
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  "properties": {
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    },
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    "https://w3id.org/chemrof/inchi2d_string": {
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      "rdfs:label": "InChI",
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