CHEBI:65953 - gaudichaudiic acid I

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ChEBI Name gaudichaudiic acid I
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
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Formula C40H46O9
Net Charge 0
Average Mass 670.78780
Monoisotopic Mass 670.31418
InChI InChI=1S/C40H46O9/c1-11-36(5,6)28-32-25(21-17-19(3)13-14-23(21)37(7,8)47-32)29(41)26-30(42)27-31(46-12-2)22-18-24-38(9,10)49-39(34(22)43,16-15-20(4)35(44)45)40(24,27)48-33(26)28/h11,13-15,17,22,24,27,31,41H,1,12,16,18H2,2-10H3,(H,44,45)/b20-15+/t22-,24-,27?,31?,39-,40-/m1/s1
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)C1C2OCC)c(O)c1-c2cc(C)ccc2C(C)(C)Oc1c3C(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 I (CHEBI:65953) has role antineoplastic agent (CHEBI:35610)
gaudichaudiic acid I (CHEBI:65953) has role metabolite (CHEBI:25212)
gaudichaudiic acid I (CHEBI:65953) is a bridged compound (CHEBI:35990)
gaudichaudiic acid I (CHEBI:65953) is a cyclic ether (CHEBI:37407)
gaudichaudiic acid I (CHEBI:65953) is a cyclic ketone (CHEBI:3992)
gaudichaudiic acid I (CHEBI:65953) is a organic heteroheptacyclic compound (CHEBI:52157)
gaudichaudiic acid I (CHEBI:65953) is a oxo monocarboxylic acid (CHEBI:35871)
(2E)-4-[(1S,3aR,5R,16aR)-6-ethoxy-8-hydroxy-3,3,10,13,13-pentamethyl-15-(2-methylbut-3-en-2-yl)-7,17-dioxo-3a,4,5,6,6a,7-hexahydro-3H,13H-1,5-methanofuro[3,4-g]isochromeno[4,3-b]xanthen-1-yl]-2-methylbut-2-enoic acid
Registry Number Type Source
8749911 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
11101460 PubMed citation Europe PMC
Last Modified
07 February 2013