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
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