CHEBI:72310 - globostellatic acid D

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name globostellatic acid D
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 C31H46O6
Net Charge 0
Average Mass 514.69330
Monoisotopic Mass 514.32944
InChI InChI=1S/C31H46O6/c1-19(12-13-25(37-8)28(3,4)36)10-9-11-20(2)26-21(32)18-23-29(5)17-15-24(33)31(7,27(34)35)22(29)14-16-30(23,26)6/h9-13,22-25,33,36H,14-18H2,1-8H3,(H,34,35)/b11-9+,13-12+,19-10+,26-20+/t22-,23+,24-,25?,29+,30+,31-/m1/s1
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](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 D (CHEBI:72310) has role antineoplastic agent (CHEBI:35610)
globostellatic acid D (CHEBI:72310) has role metabolite (CHEBI:25212)
globostellatic acid D (CHEBI:72310) is a diol (CHEBI:23824)
globostellatic acid D (CHEBI:72310) is a enone (CHEBI:51689)
globostellatic acid D (CHEBI:72310) is a ether (CHEBI:25698)
globostellatic acid D (CHEBI:72310) is a oxo monocarboxylic acid (CHEBI:35871)
globostellatic acid D (CHEBI:72310) is a tricyclic triterpenoid (CHEBI:52340)
globostellatic acid D (CHEBI:72310) is conjugate acid of globostellatate D(1−) (CHEBI:72309)
Incoming globostellatate D(1−) (CHEBI:72309) is conjugate base of globostellatic acid D (CHEBI:72310)
(3Z,3aS,5aR,6R,7R,9aR,9bS)-7-hydroxy-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
Registry Number Type Source
15812092 Reaxys Registry Number Reaxys
Last Modified
08 February 2013