(Q105204545)

English

6'-Methoxy-2',4',4-trihydroxy-3'-(4-hydroxy-3-methyl-2-butenyl)-trans-chalcone

chemical compound

In more languages

Statements

type of chemical entity

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3'C-substituted chalcone

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3'C-prenylchalcone

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370.141638424 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₁H₂₂O₆

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canonical SMILES

O=C(C=CC1=CC=C(O)C=C1)C2=C(O)C(=C(O)C=C2OC)CC=C(C)CO

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isomeric SMILES

COc1cc(O)c(C/C=C(\C)CO)c(O)c1C(=O)/C=C/c1ccc(O)cc1

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Humulus lupulus

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Estrogens and congeners from spent hops (Humulus lupulus).

Identifiers

InChI=1S/C21H22O6/c1-13(12-22)3-9-16-18(25)11-19(27-2)20(21(16)26)17(24)10-6-14-4-7-15(23)8-5-14/h3-8,10-11,22-23,25-26H,9,12H2,1-2H3/b10-6+,13-3+

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PAISPFQETXMRRU-HGFFJGHSSA-N

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1 reference

17 September 2022

based on heuristic

inferred from InChIKey

UniChem compound ID

1 reference

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