EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:70113 - cornusalterin E

ChEBI IDCHEBI:70113
ChEBI Namecornusalterin E
Stars
DefinitionA tirucallane triterpenoid that is (13α,14β,17α,20S)-lanosta-1,7-diene substituted by an oxo group at position 3. It has been isolated from the stem and stem barks of Cornus walteri.
Last Modified1 October 2014
DownloadsMolfile
FormulaC30H48O
Net Charge0
Average Mass424.713
Monoisotopic Mass424.37052
SMILES[H][C@]12CC[C@@]3(C)[C@]([H])([C@@H](C)CCCC(C)C)CC[C@]3(C)C1=CC[C@@]1([H])C(C)(C)C(=O)C=C[C@]21C
InChIInChI=1S/C30H48O/c1-20(2)10-9-11-21(3)22-14-18-30(8)24-12-13-25-27(4,5)26(31)16-17-28(25,6)23(24)15-19-29(22,30)7/h12,16-17,20-23,25H,9-11,13-15,18-19H2,1-8H3/t21-,22-,23-,25-,28+,29-,30+/m0/s1
InChIKeyZYAWSDGOPQRREN-BWMIPAFUSA-N
Species of MetaboliteComponentSourceComments
Cornus walteri (ncbitaxon:16907) stem (BTO:0001300) PubMed (21182258) 80% Methanolic extract of dried, chopped stems and stem bark
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)
cornusalterin E (CHEBI:70113) has role plant metabolite (CHEBI:76924)
cornusalterin E (CHEBI:70113) is a cyclic terpene ketone (CHEBI:36130)
cornusalterin E (CHEBI:70113) is a tirucallane triterpenoid (CHEBI:83211)
IUPAC Name 
(13α,14β,17α,20S)-lanosta-1,7-dien-3-one
Registry NumbersSources
Reaxys:21220897Reaxys
Citations