(Q105189651)

English

(1R,6S,7S,11R,12R,19R)-7-(3,5-dihydroxyphenyl)-6,11,19-tris(4-hydroxyphenyl)-5-oxapentacyclo[10.7.0.02,10.04,8.013,18]nonadeca-2,4(8),9,13(18),14,16-hexaene-9,15,17-triol

chemical compound

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instance of

type of chemical entity

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subclass of

7-(3,5-Dihydroxyphenyl)-6,11,19-tris(4-hydroxyphenyl)-5-oxapentacyclo[10.7.0.02,10.04,8.013,18]nonadeca-2,4(8),9,13(18),14,16-hexaene-9,15,17-triol

1 reference

based on heuristic

inferred from SMILES

mass

680.204632604 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₂H₃₂O₉

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canonical SMILES

OC1=CC=C(C=C1)C2OC=3C=C4C(=C(O)C3C2C=5C=C(O)C=C(O)C5)C(C6=CC=C(O)C=C6)C7C=8C=C(O)C=C(O)C8C(C9=CC=C(O)C=C9)C47

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isomeric SMILES

Oc1ccc([C@H]2Oc3cc4c(c(O)c3[C@@H]2c2cc(O)cc(O)c2)[C@@H](c2ccc(O)cc2)[C@@H]2c3cc(O)cc(O)c3[C@@H](c3ccc(O)cc3)[C@H]42)cc1

0 references

found in taxon

Sophora alopecuroides

1 reference

stated in

Chemical constituents isolated from the Mongolian medicinal plant Sophora alopecuroides L. and their inhibitory effects on LPS-induced nitric oxide production in RAW 264.7 macrophages

Identifiers

InChI

InChI=1S/C42H32O9/c43-23-7-1-19(2-8-23)33-36-29(16-28(48)17-31(36)49)37-34(20-3-9-24(44)10-4-20)39-30(38(33)37)18-32-40(41(39)50)35(22-13-26(46)15-27(47)14-22)42(51-32)21-5-11-25(45)12-6-21/h1-18,33-35,37-38,42-50H/t33-,34+,35+,37+,38+,42-/m1/s1

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InChIKey

OCYSKJMKPXUCTA-KNBYKECDSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

OCYSKJMKPXUCTA-KNBYKECDSA-N

1 reference

(Q105189651)

(1R,6S,7S,11R,12R,19R)-7-(3,5-dihydroxyphenyl)-6,11,19-tris(4-hydroxyphenyl)-5-oxapentacyclo[10.7.0.02,10.04,8.013,18]nonadeca-2,4(8),9,13(18),14,16-hexaene-9,15,17-triol

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