CHEBI:138972 - 11α-hydroxycucurbitadienol

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ChEBI Name 11α-hydroxycucurbitadienol
ChEBI ASCII Name 11alpha-hydroxycucurbitadienol
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Kristian Axelsen
Supplier Information
Download Molfile XML SDF
Formula C30H50O2
Net Charge 0
Average Mass 442.718
Monoisotopic Mass 442.38108
InChI InChI=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
SMILES [C@@]12(C)[C@]3([C@]([C@@]4(CC[C@@H](C(C4=CC3)(C)C)O)[H])([C@@H](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 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)
Synonyms Sources
(1S,4R,9β,11α)-9,10,14-trimethyl-4,9-cyclo-9,10-secocholesta-5,24-diene-1,11-diol IUPAC
10α-cucurbita-5,24-diene-3β,11α-diol ChEBI
11-hydroxycucurbitadienol UniProt
cucurbita-5,24-dien-3,11-diol ChEBI
Manual Xref Database
CPD-20417 MetaCyc
View more database links
Registry Number Type Source
6771857 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
26903528 PubMed citation SUBMITTER
27821754 PubMed citation Europe PMC
Last Modified
17 January 2018