(Q105286946)

English

5,7-Dihydroxy-3-[4-hydroxy-3-(3,7-dimethyl-2,6-octadienyl)-5-(3-methyl-2-butenyl)phenyl]-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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biogenic alkylphenol

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mass

474.240624188 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₀H₃₄O₅

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canonical SMILES

O=C1C(=COC=2C=C(O)C=C(O)C12)C=3C=C(C(O)=C(C3)CC=C(C)CCC=C(C)C)CC=C(C)C

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isomeric SMILES

CC(C)=CCC/C(C)=C/Cc1cc(-c2coc3cc(O)cc(O)c3c2=O)cc(CC=C(C)C)c1O

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found in taxon

Millettia pachycarpa

2 references

stated in

Chemical constituents of Millettia taiwaniana: structure elucidation of five new isoflavonoids and their cancer chemopreventive activity

stated in

Chemical constituents of Millettia taiwaniana: structure elucidation of five new isoflavonoids and their cancer chemopreventive activity

Identifiers

InChI

InChI=1S/C30H34O5/c1-18(2)7-6-8-20(5)10-12-22-14-23(13-21(29(22)33)11-9-19(3)4)25-17-35-27-16-24(31)15-26(32)28(27)30(25)34/h7,9-10,13-17,31-33H,6,8,11-12H2,1-5H3/b20-10+

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InChIKey

VIPUDTLJTQPSIX-KEBDBYFISA-N

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1 reference

17 September 2022

inferred from InChIKey

1 reference

2 references

inferred from InChIKey

matched by identifier from

InChIKey

VIPUDTLJTQPSIX-KEBDBYFISA-N

(Q105286946)

5,7-Dihydroxy-3-[4-hydroxy-3-(3,7-dimethyl-2,6-octadienyl)-5-(3-methyl-2-butenyl)phenyl]-4H-1-benzopyran-4-one

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