Terminology Service for NFDI4Health
JSON

pierreione B

Go to external page http://purl.obolibrary.org/obo/CHEBI_68048

A methoxyisoflavone that is isoflavone substituted by a methoxy group at position 3', a 2R,3-dihydroxy-3-methylbutoxyl group at position 4' and a dimethylpyran ring fused across positions 6 and 7. Isolated from Antheroporum pierrei, it exhibits antineoplastic activity.

Term info

Label

pierreione B

Synonyms
  • 7-(4-{[(2R)-2,3-dihydroxy-3-methylbutyl]oxy}-3-methoxyphenyl)-2,2-dimethyl-2H,6H-pyrano[3,2-g]chromen-6-one
database cross reference
Subsets

3_STAR

IUPAC NAME
7-(4-{[(2R)-2,3-dihydroxy-3-methylbutyl]oxy}-3-methoxyphenyl)-2,2-dimethyl-2H,6H-pyrano[3,2-g]chromen-6-one [ IUPAC ]

charge

0

formula

C26H28O7

has obo namespace

chebi_ontology

has related synonym

3'-methoxy-4'-(2R,3-dihydroxy-3-methylbutoxyl)-3'',3''-dimethylpyrano-(6,7)-isoflavone

id

CHEBI:68048

inchi

InChI=1S/C26H28O7/c1-25(2)9-8-16-10-17-21(12-20(16)33-25)31-13-18(24(17)28)15-6-7-19(22(11-15)30-5)32-14-23(27)26(3,4)29/h6-13,23,27,29H,14H2,1-5H3/t23-/m1/s1

inchikey

RDXLWAJRBPKMPD-HSZRJFAPSA-N

mass

452.49630

monoisotopicmass

452.18350

smiles

COc1cc(ccc1OC[C@@H](O)C(C)(C)O)-c1coc2cc3OC(C)(C)C=Cc3cc2c1=O