CHEBI:67521 - (-)-gambogic acid

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ChEBI Name (-)-gambogic acid
ChEBI ID CHEBI:67521
Definition A natural product found in Garcinia hanburyi.
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C38H44O8
Net Charge 0
Average Mass 628.75120
Monoisotopic Mass 628.30362
InChI InChI=1S/C38H44O8/c1-20(2)10-9-15-36(8)16-14-24-29(39)28-30(40)26-18-23-19-27-35(6,7)46-37(33(23)41,17-13-22(5)34(42)43)38(26,27)45-32(28)25(31(24)44-36)12-11-21(3)4/h10-11,13-14,16,18,23,27,39H,9,12,15,17,19H2,1-8H3,(H,42,43)/b22-13-/t23-,27+,36-,37+,38-/m1/s1
InChIKey GEZHEQNLKAOMCA-RRZNCOCZSA-N
SMILES [H][C@@]12C[C@@]3([H])C(C)(C)O[C@@](CC=C(C)C(O)=O)(C1=O)[C@]31Oc3c(CC=C(C)C)c4O[C@](C)(CCC=C(C)C)C=Cc4c(O)c3C(=O)C1=C2
Metabolite of Species Details
Garcinia hanburyi (NCBI:txid231906) Extract of gamboge,a resin exudate from plant 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 (-)-gambogic acid (CHEBI:67521) has role metabolite (CHEBI:25212)
(-)-gambogic acid (CHEBI:67521) is a pyranoxanthones (CHEBI:71238)
Synonyms Sources
(2Z)-4-[(1S,2S,8R,17S,19R)-12-Hydroxy-8,21,21-trimethyl-5-(3-methyl-2-buten-1-yl)-8-(4-methyl-3-penten-1-yl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.0[2,15].0[2,19].0[4,13].0[6,11]]docosa-4(13),5,9, 11,15-pentaen-19-yl]-2-methyl-2-butenoic acid ChEBI
beta-Guttiferin ChEBI
Guttic acid ChEBI
Manual Xrefs Databases
C00002950 KNApSAcK
C10062 KEGG COMPOUND
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Registry Number Type Source
2752-65-0 CAS Registry Number ChemIDplus
Citation Waiting for Citations Type Source
21486005 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:chromenes(CHEBI:23232); ISA:chromones(CHEBI:23238); ISA:monoterpenoid(CHEBI:25409); ISA:aromatic ketone(CHEBI:76224); ISA:aromatic ether(CHEBI:35618); ISA:phenols(CHEBI:33853); ISA:oxacycle(CHEBI:38104); ISA:cyclohexanones(CHEBI:23482); ISA:enol ether(CHEBI:47985); ISA:enone(CHEBI:51689); ISA:enol(CHEBI:33823); ISA:oxolanes(CHEBI:26912); ISA:polyol(CHEBI:26191); ISA:carboxylic acid(CHEBI:33575); ISA:ether(CHEBI:25698); ISA:monocarboxylic acid(CHEBI:25384); ISA:organonitrogen compound(CHEBI:35352); ISA:aromatic alcohol(CHEBI:33854);