CHEBI:68356 - poricoic acid H

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ChEBI Name poricoic acid H
ChEBI ID CHEBI:68356
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 C31H48O5
Net Charge 0
Average Mass 500.70980
Monoisotopic Mass 500.35017
InChI InChI=1S/C31H48O5/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/h18,21-22,25,27,32H,3,5,9-17H2,1-2,4,6-8H3,(H,33,34)(H,35,36)/t21-,22+,25-,27+,29+,30-,31+/m1/s1
InChIKey GKXXWKRLARTIQL-SMFZDKLCSA-N
SMILES CC(C)C(=C)CC[C@H]([C@H]1[C@H](O)C[C@@]2(C)C3=C(CC[C@]12C)[C@@](C)(CCC(O)=O)[C@@H](CC3)C(C)=C)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 H (CHEBI:68356) has role fungal metabolite (CHEBI:76946)
poricoic acid H (CHEBI:68356) is a dicarboxylic acid (CHEBI:35692)
poricoic acid H (CHEBI:68356) is a secondary alcohol (CHEBI:35681)
poricoic acid H (CHEBI:68356) 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,4,5,6,7,8,9,9b-decahydro-1H-cyclopenta[a]naphthalen-3-yl]-6-methyl-5-methylideneheptanoic acid
Registry Number Type Source
9175534 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
21250700 PubMed citation Europe PMC
Last Modified
13 January 2014