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CHEBI:62456 - cucurbitadienol

Default Structure
ChEBI IDCHEBI:62456
ChEBI Namecucurbitadienol
Stars
DefinitionA tetracyclic triterpenoid that is 4,9-cyclo-9,10-secocholesta-5,24-diene substituted by methyl groups at the 9β, 10, and 14 positions, and by a hydroxy group at position 1.
Last Modified17 January 2018
SubmitterGareth Owen
DownloadsMolfile
FormulaC30H50O
Net Charge0
Average Mass426.729
Monoisotopic Mass426.38617
SMILES[H][C@@]12CC=C3C(C)(C)[C@@H](O)CC[C@@]3([H])[C@]1(C)CC[C@@]1(C)[C@@]2(C)CC[C@]1([H])[C@H](C)CCC=C(C)C
InChIInChI=1S/C30H50O/c1-20(2)10-9-11-21(3)22-16-17-30(8)25-14-12-23-24(13-15-26(31)27(23,4)5)28(25,6)18-19-29(22,30)7/h10,12,21-22,24-26,31H,9,11,13-19H2,1-8H3/t21-,22-,24-,25-,26+,28+,29-,30+/m1/s1
InChIKeyWSPRAEIJBDUDRX-FBJXRMALSA-N
ChEBI Ontology
Outgoing Relation(s)
cucurbitadienol (CHEBI:62456) has parent hydride cucurbitane (CHEBI:73245)
cucurbitadienol (CHEBI:62456) is a tetracyclic triterpenoid (CHEBI:26893)
Incoming Relation(s)
(24S)-24,25-epoxycucurbitadienol (CHEBI:229949) has functional parent cucurbitadienol (CHEBI:62456)
11-oxocucurbitadienol (CHEBI:138973) has functional parent cucurbitadienol (CHEBI:62456)
11α-hydroxycucurbitadienol (CHEBI:138972) has functional parent cucurbitadienol (CHEBI:62456)
7-oxo-10α-cucurbitadienol (CHEBI:66838) has functional parent cucurbitadienol (CHEBI:62456)
mogrol (CHEBI:138974) has functional parent cucurbitadienol (CHEBI:62456)
IUPAC Name 
(1S,4S)-9β,10,14-trimethyl-4,9-cyclo-9,10-secocholesta-5,24-dien-1-ol
Synonyms  Source
10α-cucurbita-5,24-diene-3β-olChEBI
(1S,4S,9β)-9,10,14-trimethyl-4,9-cyclo-9,10-secocholesta-5,24-dien-1-olIUPAC
cucurbita-5,24-dien-3-olChEBI
UniProt Name  Source
cucurbitadienolUniProt
Manual XrefsDatabases
CPD-11541MetaCyc
Registry NumbersSources
Reaxys:4552313Reaxys