(Q105032435)

English

(2E)-1-[2,4-Dihydroxy-3-[(2S)-2,3-dihydroxy-3-methylbutyl]-6-methoxyphenyl]-3-(4-hydroxyphenyl)-2-propene-1-one

chemical compound

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instance of

type of chemical entity

0 references

subclass of

3'C-substituted chalcone

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3'C-prenylchalcone

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mass

388.152203108 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

1-[3-[(2S)-2,3-dihydroxy-3-methylbutyl]-2,4-dihydroxy-6-methoxyphenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₁H₂₄O₇

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canonical SMILES

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

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isomeric SMILES

COc1cc(O)c(C[C@H](O)C(C)(C)O)c(O)c1C(=O)/C=C/c1ccc(O)cc1

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found in taxon

Humulus lupulus

1 reference

stated in

Estrogens and congeners from spent hops (Humulus lupulus).

Identifiers

InChI

InChI=1S/C21H24O7/c1-21(2,27)18(25)10-14-16(24)11-17(28-3)19(20(14)26)15(23)9-6-12-4-7-13(22)8-5-12/h4-9,11,18,22,24-27H,10H2,1-3H3/b9-6+/t18-/m0/s1

0 references

InChIKey

HQUDPNXJKFHASX-YOCVDRLZSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

HQUDPNXJKFHASX-YOCVDRLZSA-N

1 reference

(Q105032435)

(2E)-1-[2,4-Dihydroxy-3-[(2S)-2,3-dihydroxy-3-methylbutyl]-6-methoxyphenyl]-3-(4-hydroxyphenyl)-2-propene-1-one

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