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CHEBI:68292 - inumakoic acid

ChEBI IDCHEBI:68292
ChEBI Nameinumakoic acid
Stars
DefinitionAn abietane diterpenoid that is podocarpa-8,11,13-triene substituted by a hydroxy group at position 11, a propan-2-yl group at position 14 and a carboxy group at position 16. It has been isolated from Podocarpus latifolius.
Last Modified21 August 2013
DownloadsMolfile
FormulaC20H28O3
Net Charge0
Average Mass316.441
Monoisotopic Mass316.20384
SMILES[H][C@@]12CCc3c(C(C)C)ccc(O)c3[C@@]1(C)CCC[C@]2(C)C(=O)O
InChIInChI=1S/C20H28O3/c1-12(2)13-6-8-15(21)17-14(13)7-9-16-19(17,3)10-5-11-20(16,4)18(22)23/h6,8,12,16,21H,5,7,9-11H2,1-4H3,(H,22,23)/t16-,19+,20+/m1/s1
InChIKeyAATAEFKOGVRLNH-UXPWSPDFSA-N
Species of MetaboliteComponentSourceComments
Podocarpus latifolius (ncbitaxon:120620) root (BTO:0001188) PubMed (21306129) Previous component: root bark; CH2Cl2-MeOH(1:1) extract of dried, ground root bark
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
inumakoic acid (CHEBI:68292) has role metabolite (CHEBI:25212)
inumakoic acid (CHEBI:68292) is a abietane diterpenoid (CHEBI:36762)
inumakoic acid (CHEBI:68292) is a monocarboxylic acid (CHEBI:25384)
inumakoic acid (CHEBI:68292) is a phenols (CHEBI:33853)
IUPAC Name 
11-hydroxy-14-(propan-2-yl)podocarpa-8,11,13-trien-16-oic acid
Registry NumbersSources
Reaxys:21394582Reaxys
Citations