11-oxocucurbitadienol (CHEBI:138973)

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CHEBI:138973 - 11-oxocucurbitadienol

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ChEBI ID	CHEBI:138973
ChEBI Name	11-oxocucurbitadienol
Stars
Definition	A tetracyclic triterpenoid that is cucurbitadienol in which the methylene hydrogens at position 11 have been replaced by an oxo group.
Last Modified	17 January 2018
Submitter	Kristian Axelsen
Downloads	Molfile

Formula	C30H48O2
Net Charge	0
Average Mass	440.712
Monoisotopic Mass	440.36543
SMILES	[H][C@@]12CC=C3C(C)(C)[C@@H](O)CC[C@@]3([H])[C@]1(C)C(=O)C[C@@]1(C)[C@@]2(C)CC[C@]1([H])[C@H](C)CCC=C(C)C
InChI	InChI=1S/C30H48O2/c1-19(2)10-9-11-20(3)21-16-17-28(6)24-14-12-22-23(13-15-25(31)27(22,4)5)30(24,8)26(32)18-29(21,28)7/h10,12,20-21,23-25,31H,9,11,13-18H2,1-8H3/t20-,21-,23-,24+,25+,28+,29-,30+/m1/s1
InChIKey	GBFPAYOKITZRAZ-XALYZVBKSA-N

Species of Metabolite	Component	Source	Comments
Siraitia grosvenorii (ncbitaxon:190515)	-	PubMed (26903528)

Roles Classification

Biological Role:

plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.

ChEBI Ontology

Outgoing Relation(s)
	11-oxocucurbitadienol (CHEBI:138973) has functional parent cucurbitadienol (CHEBI:62456)
	11-oxocucurbitadienol (CHEBI:138973) has parent hydride cucurbitane (CHEBI:73245)
	11-oxocucurbitadienol (CHEBI:138973) has role plant metabolite (CHEBI:76924)
	11-oxocucurbitadienol (CHEBI:138973) is a cyclic terpene ketone (CHEBI:36130)
	11-oxocucurbitadienol (CHEBI:138973) is a secondary alcohol (CHEBI:35681)
	11-oxocucurbitadienol (CHEBI:138973) is a tetracyclic triterpenoid (CHEBI:26893)

IUPAC Name
(1S,4R)-1-hydroxy-99β,10,14-trimethyl-4,9-cyclo-9,10-secocholesta-5,24-dien-11-one

Synonyms	Source
3β-hydroxy-10α-cucurbit-5,24-dien-11-one	ChEBI
(1S,4R,9β)-1-hydroxy-9,10,14-trimethyl-4,9-cyclo-9,10-secocholesta-5,24-dien-11-one	IUPAC

UniProt Name	Source
11-oxocucurbitadienol	UniProt

Manual Xrefs	Databases
CPD-20418	MetaCyc

Registry Numbers	Sources
Reaxys:6745644	Reaxys

Citations