CHEBI:70329 - isoxanthochymol

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ChEBI Name isoxanthochymol
ChEBI ID CHEBI:70329
Definition A natural product found in Rheedia edulis and Garcinia livingstonei.
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C38H50O6
Net Charge 0
Average Mass 602.80000
Monoisotopic Mass 602.36074
InChI InChI=1S/C38H50O6/c1-22(2)11-14-26-20-37-21-27(15-12-23(3)4)36(9,10)44-33(37)30(31(41)25-13-16-28(39)29(40)19-25)32(42)38(34(37)43,35(26,7)8)18-17-24(5)6/h11-13,16-17,19,26-27,39-40H,14-15,18,20-21H2,1-10H3/t26-,27-,37-,38-/m1/s1
InChIKey KXTNVBQRLRYVCO-OGHRFRAUSA-N
SMILES CC(C)=CC[C@@H]1C[C@]23C[C@@H](CC=C(C)C)C(C)(C)[C@](CC=C(C)C)(C(=O)C(C(=O)c4ccc(O)c(O)c4)=C2OC1(C)C)C3=O
Metabolite of Species Details
Rheedia edulis (NCBI:txid156481) Found in seed (BTO:0001226). MeOH extract of powdered seeds See: PubMed
Garcinia livingstonei (NCBI:txid469932) Found in fruit (BTO:0000486). See: PubMed
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing isoxanthochymol (CHEBI:70329) has role metabolite (CHEBI:25212)
isoxanthochymol (CHEBI:70329) is a monoterpenoid (CHEBI:25409)
Synonym Source
9H-4a,8-Methano-2H-cycloocta(b)pyran-9,11-dione, 10-(3,4-dihydroxybenzoyl)-3,4,5,6,7,8-hexahydro-2,2,7,7-tetramethyl-3,6,8-tris(3-methyl-2-butenyl)-, (3R,4aR,6R,8S)- ChEBI
Registry Number Type Source
52617-33-1 CAS Registry Number ChemIDplus
Citation Waiting for Citations Type Source
21028890 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:acetophenones(CHEBI:22187); ISA:carbonyl compound(CHEBI:36586); ISA:aromatic ketone(CHEBI:76224); ISA:m-quinone(CHEBI:25099); ISA:catechols(CHEBI:33566); ISA:cyclohexanones(CHEBI:23482); ISA:oxanes(CHEBI:46942); ISA:enol ether(CHEBI:47985); ISA:enone(CHEBI:51689); ISA:polyol(CHEBI:26191); ISA:organonitrogen compound(CHEBI:35352); ISA:ether(CHEBI:25698); ISA:aromatic alcohol(CHEBI:33854);