CHEBI:72308 - globostellatic acid C

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name globostellatic acid C
ChEBI ID CHEBI:72308
Definition A tricyclic triterpenoid of the isomalabaricane group.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C33H48O7
Net Charge 0
Average Mass 556.73000
Monoisotopic Mass 556.34000
InChI InChI=1S/C33H48O7/c1-20(13-14-26(39-9)30(4,5)38)11-10-12-21(2)28-23(35)19-25-31(6)18-16-27(40-22(3)34)33(8,29(36)37)24(31)15-17-32(25,28)7/h10-14,24-27,38H,15-19H2,1-9H3,(H,36,37)/b12-10+,14-13+,20-11+,28-21+/t24-,25+,26?,27-,31+,32+,33-/m1/s1
InChIKey DIBFODPMNNITET-MYCFXNEXSA-N
SMILES [H][C@@]12CC[C@@]3(C)[C@@]([H])(CC(=O)\C3=C(C)/C=C/C=C(C)/C=C/C(OC)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 C (CHEBI:72308) has role antineoplastic agent (CHEBI:35610)
globostellatic acid C (CHEBI:72308) has role metabolite (CHEBI:25212)
globostellatic acid C (CHEBI:72308) is a acetate ester (CHEBI:47622)
globostellatic acid C (CHEBI:72308) is a enone (CHEBI:51689)
globostellatic acid C (CHEBI:72308) is a ether (CHEBI:25698)
globostellatic acid C (CHEBI:72308) is a oxo monocarboxylic acid (CHEBI:35871)
globostellatic acid C (CHEBI:72308) is a tricyclic triterpenoid (CHEBI:52340)
globostellatic acid C (CHEBI:72308) is conjugate acid of globostellatate C(1−) (CHEBI:72306)
Incoming globostellatate C(1−) (CHEBI:72306) is conjugate base of globostellatic acid C (CHEBI:72308)
IUPAC Name
(3Z,3aS,5aR,6R,7R,9aR,9bS)-7-(acetyloxy)-3-[(3E,5E,7E)-10-hydroxy-9-methoxy-6,10-dimethylundeca-3,5,7-trien-2-ylidene]-3a,6,9a-trimethyl-2-oxododecahydro-1H-cyclopenta[a]naphthalene-6-carboxylic acid
Last Modified
08 February 2013