CHEBI:67599 - 20(29)-lupene-1β,3β-diol

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 20(29)-lupene-1β,3β-diol
ChEBI ID CHEBI:67599
ChEBI ASCII Name 20(29)-lupene-1beta,3beta-diol
Definition A pentacyclic triterpenoid that is lup-20(29)-ene substituted by hydroxy groups at positions 1 and 3 respectively (the 1β,3β-stereoisomer). It has been isolated from Breynia fruticosa.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C30H50O2
Net Charge 0
Average Mass 442.71680
Monoisotopic Mass 442.38108
InChI InChI=1S/C30H50O2/c1-18(2)19-11-13-27(5)15-16-28(6)20(25(19)27)9-10-22-29(28,7)14-12-21-26(3,4)23(31)17-24(32)30(21,22)8/h19-25,31-32H,1,9-17H2,2-8H3/t19-,20+,21-,22-,23-,24+,25+,27+,28+,29+,30-/m0/s1
InChIKey SWEUJTWPRYKNNX-AXLUDCLJSA-N
SMILES CC(=C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)[C@H](O)C[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12
Metabolite of Species Details
Breynia fruticosa (NCBI:txid296042) Found in root (BTO:0001188). 90% Methanolic extract of air-dried, crushed roots. 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 20(29)-lupene-1β,3β-diol (CHEBI:67599) has parent hydride lupane (CHEBI:36485)
20(29)-lupene-1β,3β-diol (CHEBI:67599) has role plant metabolite (CHEBI:76924)
20(29)-lupene-1β,3β-diol (CHEBI:67599) is a diol (CHEBI:23824)
20(29)-lupene-1β,3β-diol (CHEBI:67599) is a pentacyclic triterpenoid (CHEBI:25872)
IUPAC Name
lup-20(29)-ene-1β,3β-diol
Synonym Source
3-epi-glochidiol ChEBI
Registry Number Type Source
6575512 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
21428418 PubMed citation Europe PMC
Last Modified
01 June 2015