(Q105160091)

English

5-[(1E)-2-[3,4-dihydroxy-2-(3-methylbut-2-en-1-yl)phenyl]ethenyl]-4-(3,7-dimethylocta-2,6-dien-1-yl)benzene-1,3-diol

chemical compound

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Statements

type of chemical entity

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2,6-dimethyloctane monoterpenoid

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biogenic alkylphenol

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448.261359632 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₉H₃₆O₄

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canonical SMILES

OC=1C=C(O)C(=C(C=CC2=CC=C(O)C(O)=C2CC=C(C)C)C1)CC=C(C)CCC=C(C)C

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isomeric SMILES

CC(C)=CCCC(C)=CCc1c(O)cc(O)cc1/C=C/c1ccc(O)c(O)c1CC=C(C)C

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based on heuristic

inferred from InChI

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New geranyl stilbenes from Dalea purpurea with in vitro opioid receptor affinity

Identifiers

InChI=1S/C29H36O4/c1-19(2)7-6-8-21(5)10-15-25-23(17-24(30)18-28(25)32)12-11-22-13-16-27(31)29(33)26(22)14-9-20(3)4/h7,9-13,16-18,30-33H,6,8,14-15H2,1-5H3/b12-11+,21-10?

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LZRXMBPDNILKDO-AKMBCHEYSA-N

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