(Q105180172)

English

3-(3,4-Dihydroxyphenyl)-7-[(E)-3,7-dimethyl-2,6-octadienyloxy]-4H-1-benzopyran-4-one

chemical compound

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instance of

type of chemical entity

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subclass of

2,6-dimethyloctane monoterpenoid

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isoflavone

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mass

406.178023932 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₅H₂₆O₅

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canonical SMILES

O=C1C(=COC2=CC(OCC=C(C)CCC=C(C)C)=CC=C12)C=3C=CC(O)=C(O)C3

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isomeric SMILES

CC(C)=CCC/C(C)=C/COc1ccc2c(=O)c(-c3ccc(O)c(O)c3)coc2c1

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found in taxon

Millettia griffoniana

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stated in

O-Geranylated isoflavones and a3-phenylcoumarin from Millettia griffoniana1Part 6 in the series “The Millettia of Cameroon”. For part 5 see Yankep et al. [Yankep, E., Fomum, Z. T. and Dagne, E., Phytochemistry, 1997, 46, 591.].1

Identifiers

InChI

InChI=1S/C25H26O5/c1-16(2)5-4-6-17(3)11-12-29-19-8-9-20-24(14-19)30-15-21(25(20)28)18-7-10-22(26)23(27)13-18/h5,7-11,13-15,26-27H,4,6,12H2,1-3H3/b17-11+

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InChIKey

NJKCJOIOBNJNFZ-GZTJUZNOSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

NJKCJOIOBNJNFZ-GZTJUZNOSA-N

1 reference

2 references

inferred from InChIKey

matched by identifier from

InChIKey

NJKCJOIOBNJNFZ-GZTJUZNOSA-N

(Q105180172)

3-(3,4-Dihydroxyphenyl)-7-[(E)-3,7-dimethyl-2,6-octadienyloxy]-4H-1-benzopyran-4-one

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Identifiers

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