CHEBI:66838 - 7-oxo-10α-cucurbitadienol

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 7-oxo-10α-cucurbitadienol
ChEBI ID CHEBI:66838
ChEBI ASCII Name 7-oxo-10alpha-cucurbitadienol
Definition A tetracyclic triterpenoid that is the 7-oxo derivative of cucurbitadienol. Isolated from Trichosanthes kirilowii, it exhibits anti-inflammatory activity.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C30H48O2
Net Charge 0
Average Mass 440.70090
Monoisotopic Mass 440.36543
InChI InChI=1S/C30H48O2/c1-19(2)10-9-11-20(3)21-14-15-30(8)26-24(31)18-23-22(12-13-25(32)27(23,4)5)28(26,6)16-17-29(21,30)7/h10,18,20-22,25-26,32H,9,11-17H2,1-8H3/t20-,21-,22-,25+,26-,28+,29-,30+/m1/s1
InChIKey WPHOBDITIAIXKJ-MVAYMFADSA-N
SMILES [H][C@@]1(CC[C@@]2(C)[C@]3([H])C(=O)C=C4[C@@]([H])(CC[C@H](O)C4(C)C)[C@]3(C)CC[C@]12C)[C@H](C)CCC=C(C)C
Metabolite of Species Details
Trichosanthes kirilowii (NCBI:txid3677) Found in seed (BTO:0001226). See: DOI
Roles Classification
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): anti-inflammatory agent
Any compound that has anti-inflammatory effects.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 7-oxo-10α-cucurbitadienol (CHEBI:66838) has functional parent cucurbitadienol (CHEBI:62456)
7-oxo-10α-cucurbitadienol (CHEBI:66838) has parent hydride cucurbitane (CHEBI:73245)
7-oxo-10α-cucurbitadienol (CHEBI:66838) has role anti-inflammatory agent (CHEBI:67079)
7-oxo-10α-cucurbitadienol (CHEBI:66838) has role metabolite (CHEBI:25212)
7-oxo-10α-cucurbitadienol (CHEBI:66838) is a cyclic terpene ketone (CHEBI:36130)
7-oxo-10α-cucurbitadienol (CHEBI:66838) is a tetracyclic triterpenoid (CHEBI:26893)
IUPAC Name
(1S,4S,9β)-1-hydroxy-9,10,14-trimethyl-4,9-cyclo-9,10-secocholesta-5,24-dien-7-one
Synonym Source
7-oxo-10aα-cucurbita-5,24-dien-3β-ol ChEBI
Registry Number Type Source
6824760 Reaxys Registry Number Reaxys
Last Modified
19 April 2013
General Comment
2013-04-19 Phytochemistry (1994), 36(1), 153-158.