CHEBI:67942 - 1-oxo-3β-hydroxyolean-18-ene

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ChEBI Name 1-oxo-3β-hydroxyolean-18-ene
ChEBI ID CHEBI:67942
ChEBI ASCII Name 1-oxo-3beta-hydroxyolean-18-ene
Definition A pentacyclic triterpenoid that is olean-18-ene substituted by a β-hydroxy group at position 3 and oxo group at position 1. It has been isolated from the leaves and twigs of Juglans sinensis.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C30H48O2
Net Charge 0
Average Mass 440.70090
Monoisotopic Mass 440.36543
InChI InChI=1S/C30H48O2/c1-25(2)13-14-27(5)15-16-28(6)19(20(27)18-25)9-10-22-29(28,7)12-11-21-26(3,4)23(31)17-24(32)30(21,22)8/h18-19,21-23,31H,9-17H2,1-8H3/t19-,21+,22+,23+,27-,28-,29-,30+/m1/s1
InChIKey PKZZYOJERITBAM-HBSCMMAFSA-N
SMILES CC1(C)CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@H]4[C@@]3(C)CC[C@H]3C(C)(C)[C@@H](O)CC(=O)[C@]43C)C2=C1
Metabolite of Species Details
Juglans sinensis (NCBI:txid442437-1) Found in leaf (BTO:0000713). 80% Methanolic extract of dried leaves and twigs See: PubMed
Juglans sinensis (NCBI:txid442437-1) Found in twig (BTO:0001411). 80% Methanolic extract of dried leaves and twigs 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 1-oxo-3β-hydroxyolean-18-ene (CHEBI:67942) has parent hydride oleanane (CHEBI:36481)
1-oxo-3β-hydroxyolean-18-ene (CHEBI:67942) has role plant metabolite (CHEBI:76924)
1-oxo-3β-hydroxyolean-18-ene (CHEBI:67942) is a cyclic terpene ketone (CHEBI:36130)
1-oxo-3β-hydroxyolean-18-ene (CHEBI:67942) is a pentacyclic triterpenoid (CHEBI:25872)
1-oxo-3β-hydroxyolean-18-ene (CHEBI:67942) is a secondary alcohol (CHEBI:35681)
IUPAC Name
3β-hydroxyolean-18-en-1-one
Registry Number Type Source
21448535 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
21309591 PubMed citation Europe PMC
Last Modified
16 January 2014