(Q105330373)

English

4-[(3R,5R)-3,5-dihydroxy-7-(4-hydroxyphenyl)heptyl]benzene-1,2-diol

chemical compound

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instance of

type of chemical entity

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subclass of

4-[3,5-Dihydroxy-7-(4-hydroxyphenyl)heptyl]benzene-1,2-diol

1 reference

based on heuristic

inferred from SMILES

mass

332.162373868 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

rel-4-((3R,5S)-3,5-Dihydroxy-7-(4-hydroxyphenyl)heptyl)benzene-1,2-diol

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

4-[(3S,5R)-3,5-dihydroxy-7-(4-hydroxyphenyl)heptyl]benzene-1,2-diol

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₉H₂₄O₅

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canonical SMILES

OC1=CC=C(C=C1)CCC(O)CC(O)CCC2=CC=C(O)C(O)=C2

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isomeric SMILES

Oc1ccc(CC[C@@H](O)C[C@H](O)CCc2ccc(O)c(O)c2)cc1

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found in taxon

Curcuma comosa

1 reference

stated in

Diarylheptanoids with inhibitory effects on melanogenesis from the rhizomes of Curcuma comosa in B16 melanoma cells.

Curcuma kwangsiensis

2 references

stated in

Diarylheptanoids from Curcuma kwangsiensis and their inhibitory activity on nitric oxide production in lipopolysaccharide-activated macrophages

stated in

Diarylheptanoids from Curcuma kwangsiensis and their inhibitory activity on nitric oxide production in lipopolysaccharide-activated macrophages

Tacca chantrieri

2 references

stated in

New diarylheptanoids and diarylheptanoid glucosides from the rhizomes of Tacca chantrieri and their cytotoxic activity

stated in

New diarylheptanoids and diarylheptanoid glucosides from the rhizomes of Tacca chantrieri and their cytotoxic activity

Identifiers

InChI

InChI=1S/C19H24O5/c20-15-6-1-13(2-7-15)3-8-16(21)12-17(22)9-4-14-5-10-18(23)19(24)11-14/h1-2,5-7,10-11,16-17,20-24H,3-4,8-9,12H2/t16-,17-/m1/s1

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InChIKey

XLTITIJKWVRJMS-IAGOWNOFSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

1 reference

NMRShiftDB structure ID

3035

1 reference

matched by identifier from

InChIKey

XLTITIJKWVRJMS-IAGOWNOFSA-N

(Q105330373)

4-[(3R,5R)-3,5-dihydroxy-7-(4-hydroxyphenyl)heptyl]benzene-1,2-diol

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