Terminology Service for NFDI4Health
pierreione C
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http://purl.obolibrary.org/obo/CHEBI_68049
A methoxyisoflavone that is isoflavone substituted by methoxy groups at positions 5 and 3', a prenyloxy 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 C
Synonyms
- 5-methoxy-7-{3-methoxy-4-[(3-methylbut-2-en-1-yl)oxy]phenyl}-2,2-dimethyl-2H,6H-pyrano[3,2-g]chromen-6-one
Subsets
3_STAR
IUPAC NAME
5-methoxy-7-{3-methoxy-4-[(3-methylbut-2-en-1-yl)oxy]phenyl}-2,2-dimethyl-2H,6H-pyrano[3,2-g]chromen-6-one
[
IUPAC
]
charge
0
formula
C27H28O6
has obo namespace
chebi_ontology
has related synonym
3',5-dimethoxy-4'-O-(3-methyl-2-butenyl)-3'',3''-dimethylpyrano-(6,7)-isoflavone
id
CHEBI:68049
inchi
InChI=1S/C27H28O6/c1-16(2)10-12-31-20-8-7-17(13-22(20)29-5)19-15-32-23-14-21-18(9-11-27(3,4)33-21)26(30-6)24(23)25(19)28/h7-11,13-15H,12H2,1-6H3
inchikey
FDPHNMKJMRWIBY-UHFFFAOYSA-N
mass
448.50760
monoisotopicmass
448.18859
smiles
COc1cc(ccc1OCC=C(C)C)-c1coc2cc3OC(C)(C)C=Cc3c(OC)c2c1=O