EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:69005 - dysolenticin H

ChEBI IDCHEBI:69005
ChEBI Namedysolenticin H
Stars
DefinitionA tirucallane triterpenoid found in Dysoxylum lenticellatum.
Last Modified1 October 2014
DownloadsMolfile
FormulaC30H44O5
Net Charge0
Average Mass484.677
Monoisotopic Mass484.31887
SMILES[H][C@]12CC[C@@]3(C)[C@]([H])(C(CC(=O)[C@@H]4OC4(C)C)C(=O)O)CC[C@]3(C)C1=CC[C@@]1([H])C(C)(C)C(=O)CC[C@]21C
InChIInChI=1S/C30H44O5/c1-26(2)22-9-8-20-19(28(22,5)13-12-23(26)32)11-15-29(6)18(10-14-30(20,29)7)17(25(33)34)16-21(31)24-27(3,4)35-24/h8,17-19,22,24H,9-16H2,1-7H3,(H,33,34)/t17?,18-,19-,22-,24-,28+,29-,30+/m0/s1
InChIKeyAMRCICCVHDCFMF-QEUZUSFHSA-N
Species of MetaboliteComponentSourceComments
Dysoxylum lenticellatum (IPNI:578201-1)
leaf (BTO:0000713) PubMed (21954912) 95% Ethanolic extract of air-dried, powdered leaves and twigs.
twig (BTO:0001411) PubMed (21954912) 95% Ethanolic extract of air-dried, powdered leaves and twigs.
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
dysolenticin H (CHEBI:69005) has role plant metabolite (CHEBI:76924)
dysolenticin H (CHEBI:69005) is a cyclic terpene ketone (CHEBI:36130)
dysolenticin H (CHEBI:69005) is a epoxide (CHEBI:32955)
dysolenticin H (CHEBI:69005) is a tirucallane triterpenoid (CHEBI:83211)
IUPAC Name 
(13α,14β,17α,20ξ,24R)-21-hydroxy-21,23-dioxo-24,25-epoxylanost-7-en-3-one
Manual XrefsDatabases
26616751ChemSpider
Registry NumbersSources
Reaxys:22011337Reaxys
Citations