(Q105157358)

English

2-hydroxy-5-[(3R)-7-hydroxy-5-methoxy-6-(3-methylbut-2-en-1-yl)-3,4-dihydro-2H-1-benzopyran-3-yl]-3-(3-methylbut-2-en-1-yl)cyclohexa-2,5-diene-1,4-dione

chemical compound

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instance of

type of chemical entity

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subclass of

isoflavane quinonoid

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mass

438.20423868 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₆H₃₀O₆

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canonical SMILES

O=C1C=C(C(=O)C(=C1O)CC=C(C)C)C2COC3=CC(O)=C(C(OC)=C3C2)CC=C(C)C

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isomeric SMILES

COc1c(CC=C(C)C)c(O)cc2c1C[C@H](C1=CC(=O)C(O)=C(CC=C(C)C)C1=O)CO2

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found in taxon

Glycyrrhiza uralensis

1 reference

stated in

Isoflavonoids and coumarins from Glycyrrhiza uralensis: antibacterial activity against oral pathogens and conversion of isoflavans into isoflavan-quinones during purification

Identifiers

InChI

InChI=1S/C26H30O6/c1-14(2)6-8-17-21(27)12-23-20(26(17)31-5)10-16(13-32-23)19-11-22(28)25(30)18(24(19)29)9-7-15(3)4/h6-7,11-12,16,27,30H,8-10,13H2,1-5H3/t16-/m0/s1

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InChIKey

LUEGFADCLCQHCT-INIZCTEOSA-N

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(Q105157358)

2-hydroxy-5-[(3R)-7-hydroxy-5-methoxy-6-(3-methylbut-2-en-1-yl)-3,4-dihydro-2H-1-benzopyran-3-yl]-3-(3-methylbut-2-en-1-yl)cyclohexa-2,5-diene-1,4-dione

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Identifiers

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