CHEBI:138973 - 11-oxocucurbitadienol

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ChEBI Name 11-oxocucurbitadienol
ChEBI ID CHEBI:138973
Definition A tetracyclic triterpenoid that is cucurbitadienol in which the methylene hydrogens at position 11 have been replaced by an oxo group.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Kristian Axelsen
Supplier Information
Download Molfile XML SDF
Formula C30H48O2
Net Charge 0
Average Mass 440.702
Monoisotopic Mass 440.36543
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
SMILES [C@@]12(C)[C@]3([C@]([C@@]4(CC[C@@H](C(C4=CC3)(C)C)O)[H])(C(C[C@]2(C)[C@](CC1)([C@@H](CCC=C(C)C)C)[H])=O)C)[H]
Metabolite of Species Details
Siraitia grosvenorii (NCBI:txid190515) See: PubMed
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Sources
(1S,4R,9β)-1-hydroxy-9,10,14-trimethyl-4,9-cyclo-9,10-secocholesta-5,24-dien-11-one IUPAC
11-oxocucurbitadienol UniProt
3β-hydroxy-10α-cucurbit-5,24-dien-11-one ChEBI
Manual Xref Database
CPD-20418 MetaCyc
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Registry Number Type Source
6745644 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
26903528 PubMed citation SUBMITTER
Last Modified
17 January 2018