(Q105111783)

English

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

chemical compound

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Statements

type of chemical entity

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isoflavane quinonoid

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452.219888744 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₇H₃₂O₆

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canonical SMILES

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

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isomeric SMILES

COc1cc2c(c(OC)c1CC=C(C)C)C[C@H](C1=CC(=O)C(O)=C(CC=C(C)C)C1=O)CO2

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Glycyrrhiza uralensis

1 reference

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

Identifiers

InChI=1S/C27H32O6/c1-15(2)7-9-18-23(31-5)13-24-21(27(18)32-6)11-17(14-33-24)20-12-22(28)26(30)19(25(20)29)10-8-16(3)4/h7-8,12-13,17,30H,9-11,14H2,1-6H3/t17-/m0/s1

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IEIFKNNADXZPPK-KRWDZBQOSA-N

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