(Q114780345)

English

(2S)-2-[3-[(1R,5S,6R)-6-(2,4-dihydroxybenzoyl)-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl]-2,4-dihydroxyphenyl]-5,7-dihydroxy-2,3-dihydrochromen-4-one

chemical compound

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instance of

type of chemical entity

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subclass of

2-[3-[6-(2,4-Dihydroxybenzoyl)-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl]-2,4-dihydroxyphenyl]-5,7-dihydroxy-2,3-dihydrochromen-4-one

1 reference

based on heuristic

inferred from SMILES

mass

626.17881178 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₃₅H₃₀O₁₁

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canonical SMILES

O=C1C=2C(O)=CC(O)=CC2OC(C3=CC=C(O)C(=C3O)C4C=C(C)CC(C5=CC=C(O)C=C5O)C4C(=O)C6=CC=C(O)C=C6O)C1

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isomeric SMILES

CC1=C[C@@H](c2c(O)ccc([C@@H]3CC(=O)c4c(O)cc(O)cc4O3)c2O)[C@H](C(=O)c2ccc(O)cc2O)[C@@H](c2ccc(O)cc2O)C1

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found in taxon

Morus alba

1 reference

stated in

HPLC-based activity profiling--discovery of sanggenons as GABAA receptor modulators in the traditional Chinese drug Sang bai pi (Morus alba root bark).

Identifiers

InChI

InChI=1S/C35H30O11/c1-15-8-22(19-4-2-16(36)10-25(19)40)31(34(44)20-5-3-17(37)11-26(20)41)23(9-15)32-24(39)7-6-21(35(32)45)29-14-28(43)33-27(42)12-18(38)13-30(33)46-29/h2-7,9-13,22-23,29,31,36-42,45H,8,14H2,1H3/t22-,23-,29+,31-/m1/s1

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InChIKey

ZEZOBFSLMMTYFF-OSOCTARVSA-N

0 references

2 references

20 October 2022

inferred from InChIKey

matched by identifier from

InChIKey

ZEZOBFSLMMTYFF-OSOCTARVSA-N

1 reference

(Q114780345)

(2S)-2-[3-[(1R,5S,6R)-6-(2,4-dihydroxybenzoyl)-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl]-2,4-dihydroxyphenyl]-5,7-dihydroxy-2,3-dihydrochromen-4-one

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