(Q105326616)

English

(1S,10R)-5-[(1S,5S,6R)-6-(2,4-dihydroxybenzoyl)-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl]-1,4,6,14-tetrahydroxy-10-(3-methylbut-2-en-1-yl)-9,17-dioxatetracyclo[8.7.0.0³,⁸.0¹¹,¹⁶]heptadeca-3,5,7,11,13,15-hexaen-2-one

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

2-[6-(2,4-Dihydroxybenzoyl)-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl]-1,3,8,10a-tetrahydroxy-5a-(3-methylbut-2-enyl)-[1]benzofuro[3,2-b]chromen-11-one

1 reference

based on heuristic

inferred from SMILES

(5aR,10aS)-2-[6-(2,4-dihydroxybenzoyl)-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl]-1,3,8,10a-tetrahydroxy-5a-(3-methylbut-2-enyl)-[1]benzofuro[3,2-b]chromen-11-one

1 reference

1 reference

708.220676592 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(5aS,10aR)-2-[(1R,5S,6R)-6-(2,4-dihydroxybenzoyl)-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl]-1,3,8,10a-tetrahydroxy-5a-(3-methylbut-2-enyl)-[1]benzofuro[3,2-b]chromen-11-one

2 references

based on heuristic

inferred from InChIKey

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

(5aR,10aS)-2-[(1R,5S,6R)-6-(2,4-dihydroxybenzoyl)-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl]-1,3,8,10a-tetrahydroxy-5a-(3-methylbut-2-enyl)-[1]benzofuro[3,2-b]chromen-11-one

1 reference

based on heuristic

inferred from InChI

chemical formula

C₄₀H₃₆O₁₂

0 references

canonical SMILES

O=C(C1=CC=C(O)C=C1O)C2C(C=C(C)CC2C3=CC=C(O)C=C3O)C4=C(O)C=C5OC6(C7=CC=C(O)C=C7OC6(O)C(=O)C5=C4O)CC=C(C)C

0 references

isomeric SMILES

CC(C)=CC[C@]12Oc3cc(O)c([C@H]4C=C(C)C[C@H](c5ccc(O)cc5O)[C@H]4C(=O)c4ccc(O)cc4O)c(O)c3C(=O)[C@@]1(O)Oc1cc(O)ccc12

0 references

found in taxon

Morus

3 references

stated in

Protein tyrosine phosphatase 1B inhibitors from Morus root bark

stated in

[Application of supercritical fluid extraction to components of crude drugs and plants. II. Extraction of coumarins, lignans and prenylflavonoids]

stated in

Hypoxia-inducible factor-1 inhibitory benzofurans and chalcone-derived diels-alder adducts from Morus species.

Morus mongolica

2 references

stated in

Cytotoxic flavonoids with isoprenoid groups from Morus mongolica

stated in

On the Structure of Sanggenon Q, A New Diels-Alder Type Adduct from Morus mongolica Schneider

Morus cathayana

2 references

stated in

Diels-Alder type adducts from Morus cathayana.

stated in

Isoprenylated flavanones from Morus cathayana

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/C40H36O12/c1-18(2)10-11-39-27-9-6-22(43)16-31(27)52-40(39,50)38(49)35-32(51-39)17-30(46)34(37(35)48)26-13-19(3)12-25(23-7-4-20(41)14-28(23)44)33(26)36(47)24-8-5-21(42)15-29(24)45/h4-10,13-17,25-26,33,41-46,48,50H,11-12H2,1-3H3/t25-,26+,33-,39-,40-/m1/s1

0 references

InChIKey

XETHJOZXBVWLLM-HUKCQOFTSA-N

0 references

CAS Registry Number

80651-76-9

1 reference

stated in

CAS (formerly Chemical Abstracts Service)

25 January 2022

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

XETHJOZXBVWLLM-HUKCQOFTSA-N

SureChEMBL ID

SCHEMBL26115375

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

XETHJOZXBVWLLM-HUKCQOFTSA-N

1 reference

0 references

(Q105326616)

(1S,10R)-5-[(1S,5S,6R)-6-(2,4-dihydroxybenzoyl)-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl]-1,4,6,14-tetrahydroxy-10-(3-methylbut-2-en-1-yl)-9,17-dioxatetracyclo[8.7.0.0³,⁸.0¹¹,¹⁶]heptadeca-3,5,7,11,13,15-hexaen-2-one

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