Consensus flow list

(2E)-3-phenylprop-2-enal

fo-88d1f3e0119b7c99

Identity

Type
NeutralMolecule
CAS
14371-10-9
EC
604-377-8
Origin
EF 3.1 hybrid_name_cas_v1
Changes
57 across every transformer

Structure

Structure diagram for (2E)-3-phenylprop-2-enal

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

Alternative labels

22

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string KJPRLNWUNMBNBZ-QPJJXVBHSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C9H8O/c10-8-4-7-9-5-2-1-3-6-9/h1-8H/b7-4+
Isomeric SMILES string chemrof:isomeric_smiles_string O=C/C=C/c1ccccc1
IUPAC name chemrof:IUPAC_name (2E)-3-phenylprop-2-enal
Molecular formula chemrof:molecular_formula C9H8O
Molecular mass chemrof:molecular_mass 132.162
Monoisotopic mass chemrof:monoisotopic_mass 132.05751, 132.057515
SMILES string chemrof:smiles_string O=CC=Cc1ccccc1

Known URLs

50

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
bpdb bpdb:1069 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=14371-10-9 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:16731 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.002.922 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.111.079 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.231.889 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.250.459 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID6024834 enrich_references.pubchem_identifier_url
drugbank.ca https://www.drugbank.ca/drugs/DB14184 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=16935 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=40346 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL293492 enrich_references.pubchem_identifier_url
femaflavor.org https://www.femaflavor.org/flavor-library/cinnamaldehyde enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/SR60A3XG0F enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0003441 enrich_references.chebi_xrefs
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.850I enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J43.393D enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C00903 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C00903 enrich_references.pubchem_identifier_url
knapsack knapsack:C00002725 enrich_references.chebi_xrefs
knapsack knapsack:C00035187 enrich_references.chebi_xrefs
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=38332 enrich_references.pubchem_identifier_url
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C76703 enrich_references.pubchem_identifier_url
pharos.nih.gov https://pharos.nih.gov/ligands/JFB6JYGKLS9F enrich_references.pubchem_identifier_url
platform.opentargets.org https://platform.opentargets.org/drug/CHEMBL293492 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/637511 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=097032 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=520455 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/11975643 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/17140783 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/17662960 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/18218683 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/19845671 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/20431333 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/20955755 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/21266172 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/21388814 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/21394803 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/21466812 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/21469739 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/21517069 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/21603596 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/21708228 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/21767279 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/21788726 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/29079364 enrich_references.chebi_xrefs
reaxys reaxys:1071571 enrich_references.chebi_xrefs
rxnav.nlm.nih.gov https://rxnav.nlm.nih.gov/id/rxnorm/1368153 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q204036 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Cinnamaldehyde enrich_references.chebi_xrefs

Elementary flows

13
Flow Context Source Unit CFs
e252a813-4eab-414f-9910-02ef97d3f1e0 Environmental → Air → Aircraft cruise height EF 3.1 kg 0
140f81d1-b6f1-48f0-ac57-ec7a35f2ca3e Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 0
742137a7-60df-4528-8d8a-ffc700a2c1ec Environmental → Air → Indoor EF 3.1 kg 0
69260a50-2357-4a12-b856-3fe6961ac7d0 Environmental → Air → Long-term EF 3.1 kg 0
931ecf31-c7a9-4fd7-82b8-b151e216b939 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 0
2ad1cc3d-21e3-4b66-8c49-d4b3faa4a41e Environmental → Air → Unknown EF 3.1 kg 0
e9d523dc-686a-40d6-a70f-67c12a728c7d Environmental → Ground → Agricultural EF 3.1 kg 0
b98fb6f6-1c42-4003-8376-895a56b7cb86 Environmental → Ground → Non-agricultural EF 3.1 kg 0
ed23cbfc-6b8b-492c-9c38-4f73ea5c1990 Environmental → Ground → Unknown EF 3.1 kg 0
78248271-1138-4331-818c-01dbcf1b9419 Environmental → Water → Long-term EF 3.1 kg 0
fb803f57-4b60-4319-a5fa-2612edb20fff Environmental → Water → Ocean EF 3.1 kg 0
dffbc017-8753-4060-bcec-df904721d20e Environmental → Water → Surface water EF 3.1 kg 0
cdaae3e0-c345-472f-bf21-e0510fb559a6 Environmental → Water → Unknown EF 3.1 kg 0

History

Everything that changed this substance (57 changes)

Open the changes page

Full record

Flow object JSON 
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    {
      "@value": "(E)-Cinnamaldehyde",
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        "prov:wasDerivedFrom": "chebi synonym match"
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    },
    {
      "@value": "(E)-phenylvinyl aldehyde",
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    {
      "@value": "2-Propenal, 3-phenyl-, (2E)-",
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      "@value": "Cinnamaldehyde, (E)-",
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    },
    {
      "@value": "E-Cinnamyl aldehyde",
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        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
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      }
    },
    {
      "@value": "trans-3-Phenyl-2-propenal",
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        ],
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      }
    },
    {
      "@value": "trans-3-Phenylpropenal",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
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    },
    {
      "@value": "trans-Benzenepropenal",
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    },
    {
      "@value": "trans-Cinnamaldehyde",
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
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    },
    {
      "@value": "trans-Cinnamic aldehyde",
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    },
    {
      "@value": "trans-Cinnamylaldehyde",
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  "properties": {
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