CHEBI:72301 - globostellatic acid A

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ChEBI Name globostellatic acid A
ChEBI ID CHEBI:72301
Definition A tricyclic triterpenoid of the isomalabaricane group.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C32H44O7
Net Charge 0
Average Mass 540.68760
Monoisotopic Mass 540.30870
InChI InChI=1S/C32H44O7/c1-19(10-9-15-29(4,5)38)11-12-22(34)20(2)27-23(35)18-25-30(6)17-14-26(39-21(3)33)32(8,28(36)37)24(30)13-16-31(25,27)7/h9-12,15,24-26,38H,13-14,16-18H2,1-8H3,(H,36,37)/b12-11+,15-9+,19-10+,27-20+/t24-,25+,26-,30+,31+,32-/m1/s1
InChIKey FCEBMUDWBVZUAU-JZOYBAOCSA-N
SMILES [H][C@@]12CC[C@@]3(C)[C@@]([H])(CC(=O)\C3=C(\C)C(=O)\C=C\C(C)=C\C=C\C(C)(C)O)[C@@]1(C)CC[C@@H](OC(C)=O)[C@]2(C)C(O)=O
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 globostellatic acid A (CHEBI:72301) has role antineoplastic agent (CHEBI:35610)
globostellatic acid A (CHEBI:72301) has role metabolite (CHEBI:25212)
globostellatic acid A (CHEBI:72301) is a acetate ester (CHEBI:47622)
globostellatic acid A (CHEBI:72301) is a dioxo monocarboxylic acid (CHEBI:35951)
globostellatic acid A (CHEBI:72301) is a enone (CHEBI:51689)
globostellatic acid A (CHEBI:72301) is a tricyclic triterpenoid (CHEBI:52340)
globostellatic acid A (CHEBI:72301) is conjugate acid of globostellatate A(1−) (CHEBI:72300)
Incoming globostellatate A(1−) (CHEBI:72300) is conjugate base of globostellatic acid A (CHEBI:72301)
IUPAC Name
(3Z,3aS,5aR,6R,7R,9aR,9bS)-7-(acetyloxy)-3-[(4E,6E,8E)-10-hydroxy-6,10-dimethyl-3-oxoundeca-4,6,8-trien-2-ylidene]-3a,6,9a-trimethyl-2-oxododecahydro-1H-cyclopenta[a]naphthalene-6-carboxylic acid
Registry Number Type Source
8529059 Reaxys Registry Number Reaxys
Last Modified
08 February 2013