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pierreione A

Go to external page http://purl.obolibrary.org/obo/CHEBI_68047

A methoxyisoflavone that is isoflavone substituted by methoxy groups at positions 5 and 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 A

Synonyms
  • 7-(4-{[(2R)-2,3-dihydroxy-3-methylbutyl]oxy}-3-methoxyphenyl)-5-methoxy-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)-5-methoxy-2,2-dimethyl-2H,6H-pyrano[3,2-g]chromen-6-one [ IUPAC ]

charge

0

formula

C27H30O8

has obo namespace

chebi_ontology

has related synonym

3',5-dimethoxy-4'-(2R,3-dihydroxy-3-methylbutoxyl)-3'',3''-dimethylpyrano-(6,7)-isoflavone

id

CHEBI:68047

inchi

InChI=1S/C27H30O8/c1-26(2)10-9-16-19(35-26)12-21-23(25(16)32-6)24(29)17(13-33-21)15-7-8-18(20(11-15)31-5)34-14-22(28)27(3,4)30/h7-13,22,28,30H,14H2,1-6H3/t22-/m1/s1

inchikey

XYVIHRJUIIUQSN-JOCHJYFZSA-N

mass

482.52230

monoisotopicmass

482.19407

smiles

COc1cc(ccc1OC[C@@H](O)C(C)(C)O)-c1coc2cc3OC(C)(C)C=Cc3c(OC)c2c1=O