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bruceolide

Go to external page http://purl.obolibrary.org/obo/CHEBI_65529

A quassinoid isolated from Brucea javanica and Brucea sumatrana and has been shown to exhibit antimalarial activity.

Term info

Label

bruceolide

Synonyms
  • methyl (11beta,12alpha,15beta)-3,11,12,15-tetrahydroxy-2,16-dioxo-13,20-epoxypicras-3-en-21-oate
database cross reference
Subsets

3_STAR

IUPAC NAME
methyl (11beta,12alpha,15beta)-3,11,12,15-tetrahydroxy-2,16-dioxo-13,20-epoxypicras-3-en-21-oate [ IUPAC ]

charge

0

formula

C21H26O10

has obo namespace

chebi_ontology

has related synonym

Picras-3-en-21-oic acid, 13,20-epoxy-3,11,12,15-tetrahydroxy-2,16-dioxo-, methyl ester,(11beta,12alpha,15beta)-

id

CHEBI:65529

inchi

InChI=1S/C21H26O10/c1-7-8-4-10-20-6-30-21(18(28)29-3,15(20)13(25)17(27)31-10)16(26)12(24)14(20)19(8,2)5-9(22)11(7)23/h8,10,12-16,23-26H,4-6H2,1-3H3/t8-,10+,12+,13+,14+,15+,16-,19-,20+,21-/m0/s1

inchikey

YLWQKYSDNGHLAO-PWRINDRCSA-N

mass

438.42510

monoisotopicmass

438.15260

smiles

COC(=O)[C@]12OC[C@@]34[C@H]1[C@@H](O)C(=O)O[C@@H]3C[C@H]1C(C)=C(O)C(=O)C[C@]1(C)[C@H]4[C@@H](O)[C@@H]2O