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CHEBI:138972 - 11α-hydroxycucurbitadienol

ChEBI IDCHEBI:138972
ChEBI Name11α-hydroxycucurbitadienol
Stars
ASCII Name11alpha-hydroxycucurbitadienol
DefinitionA tetracyclic triterpenoid that is 4,9-cyclo-9,10-secocholesta-5,24-diene substituted by methyl groups at positions 9β, 10, and 14, and by hydroxy groups at positions 1 and 11α.
Last Modified17 January 2018
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC30H50O2
Net Charge0
Average Mass442.728
Monoisotopic Mass442.38108
SMILES[H][C@@]12CC=C3C(C)(C)[C@@H](O)CC[C@@]3([H])[C@]1(C)[C@H](O)C[C@@]1(C)[C@@]2(C)CC[C@]1([H])[C@H](C)CCC=C(C)C
InChIInChI=1S/C30H50O2/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/h10,12,20-21,23-26,31-32H,9,11,13-18H2,1-8H3/t20-,21-,23-,24+,25+,26-,28+,29-,30+/m1/s1
InChIKeyBXJMMHFVUAQJBV-WSZKGZBVSA-N
Species of MetaboliteComponentSourceComments
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)
11α-hydroxycucurbitadienol (CHEBI:138972) has functional parent cucurbitadienol (CHEBI:62456)
11α-hydroxycucurbitadienol (CHEBI:138972) has parent hydride cucurbitane (CHEBI:73245)
11α-hydroxycucurbitadienol (CHEBI:138972) has role plant metabolite (CHEBI:76924)
11α-hydroxycucurbitadienol (CHEBI:138972) is a diol (CHEBI:23824)
11α-hydroxycucurbitadienol (CHEBI:138972) is a secondary alcohol (CHEBI:35681)
11α-hydroxycucurbitadienol (CHEBI:138972) is a tetracyclic triterpenoid (CHEBI:26893)
IUPAC Name 
(1S,4R)-9β,10,14-trimethyl-4,9-cyclo-9,10-secocholesta-5,24-diene-1,11α-diol
Synonyms  Source
10α-cucurbita-5,24-diene-3β,11α-diolChEBI
cucurbita-5,24-dien-3,11-diolChEBI
(1S,4R,9β,11α)-9,10,14-trimethyl-4,9-cyclo-9,10-secocholesta-5,24-diene-1,11-diolIUPAC
UniProt Name  Source
11-hydroxycucurbitadienolUniProt
Manual XrefsDatabases
CPD-20417MetaCyc
Registry NumbersSources
Reaxys:6771857Reaxys
Citations