EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:15417 - ent-kaur-16-en-19-oic acid

ChEBI IDCHEBI:15417
ChEBI Nameent-kaur-16-en-19-oic acid
Stars
ASCII Nameent-kaur-16-en-19-oic acid
DefinitionAn ent-kaurane diterpenoid that is ent-kauran-19-oic acid in which a double bond is present at position 16(17); exhibits anticancer and anti-HIV 1 activity.
Secondary ChEBI IDsCHEBI:10787, CHEBI:12815, CHEBI:23921, CHEBI:24953, CHEBI:29610, CHEBI:132865
Last Modified7 January 2019
Submitterliuqingping, Marcus Ennis
DownloadsMolfile
FormulaC20H30O2
Net Charge0
Average Mass302.458
Monoisotopic Mass302.22458
SMILES[H][C@]12CC[C@]34CC(=C)[C@H](CC[C@@]3([H])[C@]1(C)CCC[C@@]2(C)C(=O)O)C4
InChIInChI=1S/C20H30O2/c1-13-11-20-10-7-15-18(2,16(20)6-5-14(13)12-20)8-4-9-19(15,3)17(21)22/h14-16H,1,4-12H2,2-3H3,(H,21,22)/t14-,15+,16+,18-,19-,20-/m1/s1
InChIKeyNIKHGUQULKYIGE-OTCXFQBHSA-N
Roles Classification
Biological Roles:
anti-HIV-1 agent  An anti-HIV agent that destroys or inhibits the replication of HIV-1, the more infective and more virulent of the two types of HIV virus.
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
ent-kaur-16-en-19-oic acid (CHEBI:15417) has role anti-HIV-1 agent (CHEBI:64947)
ent-kaur-16-en-19-oic acid (CHEBI:15417) has role antineoplastic agent (CHEBI:35610)
ent-kaur-16-en-19-oic acid (CHEBI:15417) has role plant metabolite (CHEBI:76924)
ent-kaur-16-en-19-oic acid (CHEBI:15417) is a ent-kaurane diterpenoid (CHEBI:36760)
ent-kaur-16-en-19-oic acid (CHEBI:15417) is conjugate acid of ent-kaur-16-en-19-oate (CHEBI:57297)
Incoming Relation(s)
ent-kaur-16-en-19-oate (CHEBI:57297) is conjugate base of ent-kaur-16-en-19-oic acid (CHEBI:15417)
IUPAC Name 
ent-kaur-16-en-19-oic acid
Synonyms  Source
Kaur-16-en-18-oic acidKEGG COMPOUND
(-)-Kaur-16-en-19-oic acidKEGG COMPOUND
Kaurenic acidKEGG COMPOUND
Kaurenoic acidKEGG COMPOUND
ent-Kaur-16(17)-en-19-oic acidKEGG COMPOUND
ent-Kaurenoic acidKEGG COMPOUND
Manual XrefsDatabases
C11874KEGG COMPOUND
LMPR0104130004LIPID MAPS
CPD1F-132MetaCyc
C00000881KNApSAcK
Registry NumbersSources
Reaxys:10784819Reaxys
CAS:6730-83-2KEGG COMPOUND
CAS:6730-83-2ChemIDplus
Citations