CHEBI:65951 - gaudichaudiic acid G

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ChEBI Name gaudichaudiic acid G
ChEBI ID CHEBI:65951
Definition An organic heteroheptacyclic compound isolated from the bark of Indonesian Garcinia gaudichaudii and exhibits cytotoxic activity.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information ZINC000096085450
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Formula C38H40O8
Net Charge 0
Average Mass 624.71940
Monoisotopic Mass 624.27232
InChI InChI=1S/C38H40O8/c1-10-34(4,5)27-30-25(21-15-18(2)11-12-22(21)35(6,7)44-30)29(40)26-28(39)23-16-20-17-24-36(8,9)46-37(32(20)41,14-13-19(3)33(42)43)38(23,24)45-31(26)27/h10-13,15-16,20,24,40H,1,14,17H2,2-9H3,(H,42,43)/b19-13+/t20-,24+,37+,38-/m0/s1
InChIKey QSMLJRUCZBGQPR-MGSFFUDNSA-N
SMILES [H][C@]12C[C@]3([H])C(C)(C)O[C@](C\C=C(/C)C(O)=O)(C1=O)[C@@]31Oc3c(C(=O)C1=C2)c(O)c-1c(OC(C)(C)c2ccc(C)cc-12)c3C(C)(C)C=C
Metabolite of Species Details
Garcinia gaudichaudii (IPNI:427963-1) Found in bark (BTO:0001301). 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): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
Application(s): antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing gaudichaudiic acid G (CHEBI:65951) has role antineoplastic agent (CHEBI:35610)
gaudichaudiic acid G (CHEBI:65951) has role metabolite (CHEBI:25212)
gaudichaudiic acid G (CHEBI:65951) is a α,β-unsaturated monocarboxylic acid (CHEBI:79020)
gaudichaudiic acid G (CHEBI:65951) is a bridged compound (CHEBI:35990)
gaudichaudiic acid G (CHEBI:65951) is a cyclic ether (CHEBI:37407)
gaudichaudiic acid G (CHEBI:65951) is a cyclic ketone (CHEBI:3992)
gaudichaudiic acid G (CHEBI:65951) is a organic heteroheptacyclic compound (CHEBI:52157)
gaudichaudiic acid G (CHEBI:65951) is a oxo monocarboxylic acid (CHEBI:35871)
IUPAC Name
(2E)-4-[(1S,3aR,5R,16aR)-8-hydroxy-3,3,10,13,13-pentamethyl-15-(2-methylbut-3-en-2-yl)-7,17-dioxo-3a,4,5,7-tetrahydro-3H,13H-1,5-methanofuro[3,4-g]isochromeno[4,3-b]xanthen-1-yl]-2-methylbut-2-enoic acid
Registry Number Type Source
8747845 Reaxys Registry Number Reaxys
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Last Modified
27 June 2014