Terminology Service for NFDI4Health
JSON

ixerochinolide

Go to external page http://purl.obolibrary.org/obo/CHEBI_66100

A sesquiterpene lactone isolated from Ixeris chinensis and has been shown to exhibit cytotoxic activity against human PC-3 tumor cells.

Term info

Label

ixerochinolide

Synonyms
  • (3aR,4R,6aR,8S,9aR,9bR)-8-hydroxy-3,6,9-trimethylidene-2-oxododecahydroazuleno[4,5-b]furan-4-yl (4-hydroxyphenyl)acetate
database cross reference
Subsets

3_STAR

IUPAC NAME
(3aR,4R,6aR,8S,9aR,9bR)-8-hydroxy-3,6,9-trimethylidene-2-oxododecahydroazuleno[4,5-b]furan-4-yl (4-hydroxyphenyl)acetate [ IUPAC ]

charge

0

formula

C23H24O6

has obo namespace

chebi_ontology

has related synonym

8-O-p-hydroxyphenylacetylintegrifolin

id

CHEBI:66100

inchi

InChI=1S/C23H24O6/c1-11-8-18(28-19(26)9-14-4-6-15(24)7-5-14)21-13(3)23(27)29-22(21)20-12(2)17(25)10-16(11)20/h4-7,16-18,20-22,24-25H,1-3,8-10H2/t16-,17-,18+,20-,21+,22+/m0/s1

inchikey

BBTINGNPUAXELD-QPOFKBRPSA-N

mass

396.43310

monoisotopicmass

396.15729

smiles

[H][C@@]12C[C@H](O)C(=C)[C@]1([H])[C@@]1([H])OC(=O)C(=C)[C@]1([H])[C@@H](CC2=C)OC(=O)Cc1ccc(O)cc1