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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name ent-kaur-16-en-19-oic acid
ChEBI ID CHEBI:15417
ChEBI ASCII Name ent-kaur-16-en-19-oic acid
Definition An 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.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter qingping liu
Secondary ChEBI IDs CHEBI:29610, CHEBI:132865, CHEBI:12815, CHEBI:24953, CHEBI:23921, CHEBI:10787
Supplier Information ZINC000004102257
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Formula C20H30O2
Net Charge 0
Average Mass 302.45100
Monoisotopic Mass 302.22458
InChI InChI=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
InChIKey NIKHGUQULKYIGE-OTCXFQBHSA-N
SMILES [H][C@]12CC[C@@]34C[C@@H](CC[C@@]3([H])[C@]1(C)CCC[C@@]2(C)C(O)=O)C(=C)C4
Roles Classification
Biological Role(s): 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(s): antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 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 Sources
(-)-Kaur-16-en-19-oic acid KEGG COMPOUND
(5β,8α,9β,10α,13α)-kaur-16-en-18-oic acid IUPAC
ent-Kaur-16(17)-en-19-oic acid KEGG COMPOUND
ent-Kaurenoic acid KEGG COMPOUND
Kaur-16-en-18-oic acid KEGG COMPOUND
Kauren-19-oic acid ChemIDplus
Kaurenic acid KEGG COMPOUND
Kaurenoic acid KEGG COMPOUND
Manual Xrefs Databases
C00000881 KNApSAcK
C11874 KEGG COMPOUND
CPD1F-132 MetaCyc
LMPR0104130004 LIPID MAPS
View more database links
Registry Numbers Types Sources
10784819 Reaxys Registry Number Reaxys
6730-83-2 CAS Registry Number KEGG COMPOUND
6730-83-2 CAS Registry Number ChemIDplus
Citations Waiting for Citations
Last Modified
07 January 2019