CHEBI:68353 - poricoic acid A

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ChEBI Name poricoic acid A
ChEBI ID CHEBI:68353
Definition A tricyclic triterpenoid isolated from Poria cocos.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C31H46O5
Net Charge 0
Average Mass 498.69390
Monoisotopic Mass 498.33452
InChI InChI=1S/C31H46O5/c1-18(2)20(5)9-10-21(28(35)36)27-25(32)17-31(8)24-12-11-22(19(3)4)29(6,15-14-26(33)34)23(24)13-16-30(27,31)7/h12-13,18,21-22,25,27,32H,3,5,9-11,14-17H2,1-2,4,6-8H3,(H,33,34)(H,35,36)/t21-,22+,25-,27+,29+,30-,31+/m1/s1
InChIKey KVAQLXUMUVEKGR-SMFZDKLCSA-N
SMILES CC(C)C(=C)CC[C@H]([C@H]1[C@H](O)C[C@@]2(C)C3=CC[C@@H](C(C)=C)[C@](C)(CCC(O)=O)C3=CC[C@]12C)C(O)=O
Metabolite of Species Details
Poria cocos (NCBI:txid87299) Found in sclerotium (BTO:0001810). See: PubMed
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): fungal metabolite
Any eukaryotic metabolite produced during a metabolic reaction in fungi, the kingdom that includes microorganisms such as the yeasts and moulds.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing poricoic acid A (CHEBI:68353) has role fungal metabolite (CHEBI:76946)
poricoic acid A (CHEBI:68353) is a dicarboxylic acid (CHEBI:35692)
poricoic acid A (CHEBI:68353) is a secondary alcohol (CHEBI:35681)
poricoic acid A (CHEBI:68353) is a tricyclic triterpenoid (CHEBI:52340)
IUPAC Name
(2R)-2-[(2R,3R,3aR,6S,7S,9bR)-6-(2-carboxyethyl)-2-hydroxy-3a,6,9b-trimethyl-7-(prop-1-en-2-yl)-2,3,3a,4,6,7,8,9b-octahydro-1H-cyclopenta[a]naphthalen-3-yl]-6-methyl-5-methylideneheptanoic acid
Registry Number Type Source
7502353 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
21250700 PubMed citation Europe PMC
Last Modified
13 January 2014