CHEBI:70266 - aglaiabbreviatin E

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ChEBI Name aglaiabbreviatin E
ChEBI ID CHEBI:70266
Definition A tetracyclic triterpenoid (dammarane type) isolated from the stems of Aglaia abbreviata.
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/c1-20(10-9-16-26(2,3)32)21-13-18-29(7)22(21)11-12-24-28(6)17-15-25(31)27(4,5)23(28)14-19-30(24,29)8/h9,16,21-24,32H,1,10-15,17-19H2,2-8H3/b16-9+/t21-,22-,23+,24-,28+,29-,30-/m1/s1
InChIKey UEMOSIMEJKJGBC-MBMJWOSHSA-N
SMILES CC(C)(O)\C=C\CC(=C)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3CC[C@@]21C
Metabolite of Species Details
Aglaia abbreviata (IPNI:576946-1) Found in stem (BTO:0001300). 95% ethanolic extract of air-dried stems 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 aglaiabbreviatin E (CHEBI:70266) has role plant metabolite (CHEBI:76924)
aglaiabbreviatin E (CHEBI:70266) is a cyclic terpene ketone (CHEBI:36130)
aglaiabbreviatin E (CHEBI:70266) is a tertiary alcohol (CHEBI:26878)
aglaiabbreviatin E (CHEBI:70266) is a tetracyclic triterpenoid (CHEBI:26893)
IUPAC Name
rel-(5R,8R,9R,10R,13R,14R,17S)-17-[(4E)-6-hydroxy-6-methylhepta-1,4-dien-2-yl]-4,4,8,10,14-pentamethylhexadecahydro-3H-cyclopenta[a]phenanthren-3-one
Registry Number Type Source
21155750 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
21087017 PubMed citation Europe PMC
Last Modified
01 June 2015