Consensus flow list

Piperine

fo-5b9b2651c0fbdf17

Identity

Type
Neutral molecule
CAS
94-62-2
EC
202-348-0
Origin
EF 3.1 hybrid_name_cas_v1
Changes
58 across every transformer

Structure

Structure diagram for Piperine

This substance carries 2 candidate structures; the diagram is the first one RDKit could parse, not a settled answer.

Alternative labels

18

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string MXXWOMGUGJBKIW-YPCIICBESA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C17H19NO3/c19-17(18-10-4-1-5-11-18)7-3-2-6-14-8-9-15-16(12-14)21-13-20-15/h2-3,6-9,12H,1,4-5,10-11,13H2/b6-2+,7-3+
Isomeric SMILES string chemrof:isomeric_smiles_string O=C(/C=C/C=C/c1ccc2c(c1)OCO2)N1CCCCC1
IUPAC name chemrof:IUPAC_name 1-[(2E,4E)-5-(1,3-benzodioxol-5-yl)-1-oxo-2,4-pentadienyl]piperidine
Molecular formula chemrof:molecular_formula C17H19NO3
Molecular mass chemrof:molecular_mass 285.343
Monoisotopic mass chemrof:monoisotopic_mass 285.13649, 285.136493
SMILES string chemrof:smiles_string O=C(C=CC=Cc1ccc2c(c1)OCO2)N1CCCCC1

Known URLs

34

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=94-62-2 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:28821 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.002.135 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID3021805 enrich_references.pubchem_identifier_url
drugbank.ca https://www.drugbank.ca/drugs/DB12582 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=21727 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=757803 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL43185 enrich_references.pubchem_identifier_url
femaflavor.org https://www.femaflavor.org/flavor-library/piperine enrich_references.pubchem_identifier_url
gmelin gmelin:341351 enrich_references.chebi_xrefs
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/U71XL721QK enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0029377 enrich_references.chebi_xrefs
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J4.701E enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J50.666D enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C03882 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C03882 enrich_references.pubchem_identifier_url
knapsack knapsack:C00002065 enrich_references.chebi_xrefs
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=43799 enrich_references.pubchem_identifier_url
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C72629 enrich_references.pubchem_identifier_url
pharos.nih.gov https://pharos.nih.gov/ligands/FADZPFWWP81W enrich_references.pubchem_identifier_url
platform.opentargets.org https://platform.opentargets.org/drug/CHEMBL43185 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/638024 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=024972 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/10575373 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/15531295 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/18639606 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/19110999 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24272201 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/25645812 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/8347144 enrich_references.chebi_xrefs
reaxys reaxys:90741 enrich_references.chebi_xrefs
rxnav.nlm.nih.gov https://rxnav.nlm.nih.gov/id/rxnorm/1311146 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q414501 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Piperine enrich_references.chebi_xrefs

Elementary flows

13
Flow Context Source Unit CFs
f9aa29c7-7d1b-430b-aaaf-419956e2cbbe Environmental → Air → Aircraft cruise height EF 3.1 kg 2
1e013eb1-a5cf-4154-ae21-eb7298c63946 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
58a45d50-41a8-4bbb-8393-1d5e4df75bc8 Environmental → Air → Indoor EF 3.1 kg 2
cce4bca7-865a-48a2-a575-f16ece83e51e Environmental → Air → Long-term EF 3.1 kg 0
eb37c3c3-0ade-4492-9ce3-573fe92e6cf9 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
746b3965-3ffe-42c8-a822-c93a294fb402 Environmental → Air → Unknown EF 3.1 kg 2
6278faca-1fb6-4b74-bc04-3e9e437c7100 Environmental → Ground → Agricultural EF 3.1 kg 2
b311141b-cfc5-45d7-92b6-65fec0a78fd4 Environmental → Ground → Non-agricultural EF 3.1 kg 2
a4351324-34a9-45d2-8252-c9e1b781a1c6 Environmental → Ground → Unknown EF 3.1 kg 2
ef521914-eaee-42db-b97d-a5eaeec59a83 Environmental → Water → Long-term EF 3.1 kg 0
f3f9f93c-c211-4457-b4d9-96265e3fae92 Environmental → Water → Ocean EF 3.1 kg 2
17caaf1c-31b6-4371-acdd-1923231307c0 Environmental → Water → Surface water EF 3.1 kg 2
d531212e-8adc-4a89-8e66-0c7e81e4a2ca Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (58 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-5b9b2651c0fbdf17",
  "prefLabel": [
    {
      "@value": "Piperine",
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  ],
  "altLabel": [
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      "@value": "(2E,4E)-5-(1,3-Benzodioxol-5-yl)-1-(1-piperidinyl)-2,4-pentadien-1-one",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "(2E,4E)-5-(Benzo[d][1,3]dioxol-5-yl)-1-(piperidin-1-yl)penta-2,4-dien-1-one",
      "@language": "en",
      "@lang": "en",
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      }
    },
    {
      "@value": "(E,E)-1-[5-(1,3-Benzodioxol-5-yl)-2,4-pentadienoyl]piperidine",
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        ],
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      }
    },
    {
      "@value": "(E,E)-1-piperoylpiperidine",
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    },
    {
      "@value": "(E,E)-5-(3,4-Methylenedioxyphenyl)-2,4-pentadienoylpiperidide",
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    },
    {
      "@value": "1-[(2E,4E)-5-(1,3-benzodioxol-5-yl)-2,4-pentadienoyl]piperidine",
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    },
    {
      "@value": "1-[(2E,4E)-5-(1,3-benzodioxol-5-yl)penta-2,4-dienoyl]piperidine",
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    },
    {
      "@value": "1-Piperoyl-piperidine",
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    },
    {
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    },
    {
      "@value": "2,4-Pentadien-1-one, 5-(1,3-benzodioxol-5-yl)-1-(1-piperidinyl)-, (2E,4E)-",
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    },
    {
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        ],
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      }
    },
    {
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    },
    {
      "@value": "N-[(E,E)-Piperoyl]piperidine",
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    },
    {
      "@value": "Piperidine, 1-[5-(1,3-benzodioxol-5-yl)-1-oxo-2,4-pentadienyl]-, (E,E)-",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Piperidine, 1-piperoyl-, (E,E)-",
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      }
    },
    {
      "@value": "Piperin",
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  "properties": {
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