5-O-methylated isoflavonoids

Description:

Isoflavonoids with methoxy groups attached to the C5 atom of the isoflavonoid backbone. Isoflavonoids are natural products derived from 3-phenylchromen-4-one.

Ancestors:

Organic compounds ⮕ Phenylpropanoids and polyketides ⮕ Isoflavonoids ⮕ O-methylated isoflavonoids ⮕ 5-O-methylated isoflavonoids

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Technical Identifiers

IUPAC Name

4-[7-hydroxy-5-methoxy-6-(3-methylbut-2-enyl)-2H-chromen-3-yl]benzene-1,3-diol

SMILES

CC(=CCC1=C(C2=C(C=C1O)OCC(=C2)C3=C(C=C(C=C3)O)O)OC)C

InChIKey
UACNRZUVCUEUPY-UHFFFAOYSA-N

InChI

1S/C21H22O5/c1-12(2)4-6-16-19(24)10-20-17(21(16)25-3)8-13(11-26-20)15-7-5-14(22)9-18(15)23/h4-5,7-10,22-24H,6,11H2,1-3H3
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Technical Identifiers

IUPAC Name

4-[(3R)-7-hydroxy-5-methoxy-6-(3-methylbut-2-enyl)-3,4-dihydro-2H-chromen-3-yl]-2-(3-methylbut-2-enyl)benzene-1,3-diol

SMILES

CC(=CCC1=C(C=CC(=C1O)C2CC3=C(C=C(C(=C3OC)CC=C(C)C)O)OC2)O)C

InChIKey
GBRZTUJCDFSIHM-KRWDZBQOSA-N

InChI

1S/C26H32O5/c1-15(2)6-8-19-22(27)11-10-18(25(19)29)17-12-21-24(31-14-17)13-23(28)20(26(21)30-5)9-7-16(3)4/h6-7,10-11,13,17,27-29H,8-9,12,14H2,1-5H3/t1show more

Synonyms
CHEBI:69082 | 4-[(R)-7-Hydroxy-5-methoxy-6-(3-methyl-but-2-enyl)-1-benzopyran-3-yl]-2-((E)-3-methyl-but-2-enyl)-benze...

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