CHEBI:62456 - cucurbitadienol

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name cucurbitadienol
ChEBI ID CHEBI:62456
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information No supplier information found for this compound.
Download Molfile XML SDF
Formula C30H50O
Net Charge 0
Average Mass 426.71740
Monoisotopic Mass 426.38617
InChI InChI=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
InChIKey WSPRAEIJBDUDRX-FBJXRMALSA-N
SMILES [H][C@@]1(CC[C@@]2(C)[C@]3([H])CC=C4[C@@]([H])(CC[C@H](O)C4(C)C)[C@]3(C)CC[C@]12C)[C@H](C)CCC=C(C)C
ChEBI Ontology
Outgoing cucurbitadienol (CHEBI:62456) has parent hydride cucurbitane (CHEBI:73245)
cucurbitadienol (CHEBI:62456) is a tetracyclic triterpenoid (CHEBI:26893)
Incoming (24S)-24,25-epoxycucurbitadienol (CHEBI:229949) has functional parent cucurbitadienol (CHEBI:62456)
11α-hydroxycucurbitadienol (CHEBI:138972) has functional parent cucurbitadienol (CHEBI:62456)
11-oxocucurbitadienol (CHEBI:138973) 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 Sources
(1S,4S,9β)-9,10,14-trimethyl-4,9-cyclo-9,10-secocholesta-5,24-dien-1-ol IUPAC
10α-cucurbita-5,24-diene-3β-ol ChEBI
cucurbita-5,24-dien-3-ol ChEBI
cucurbitadienol UniProt
Manual Xref Database
CPD-11541 MetaCyc
View more database links
Registry Number Type Source
4552313 Reaxys Registry Number Reaxys
Last Modified
17 January 2018