(Q105261301)

English

(2E)-1-[3-[(1R,5R,6S)-6-[2,4-Dihydroxy-3-(3-methyl-2-buten-1-yl)benzoyl]-5-(4-hydroxyphenyl)-3-methyl-2-cyclohexen-1-yl]-2,4-dihydroxyphenyl]-3-(4-hydroxyphenyl)-2-propen-1-one

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

1-[3-[6-[2,4-Dihydroxy-3-(3-methylbut-2-enyl)benzoyl]-5-(4-hydroxyphenyl)-3-methylcyclohex-2-en-1-yl]-2,4-dihydroxyphenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one

1 reference

based on heuristic

inferred from SMILES

mass

646.256668176 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(E)-2',4,4'-Trihydroxy-3'-[3-methyl-5alpha-(4-hydroxyphenyl)-6beta-[2,4-dihydroxy-3-(3-methyl-2-butenyl)benzoyl]-2-cyclohexene-1beta-yl]chalcone

2 references

based on heuristic

inferred from InChIKey

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₄₀H₃₈O₈

0 references

canonical SMILES

O=C(C=CC1=CC=C(O)C=C1)C2=CC=C(O)C(=C2O)C3C=C(C)CC(C4=CC=C(O)C=C4)C3C(=O)C5=CC=C(O)C(=C5O)CC=C(C)C

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isomeric SMILES

CC(C)=CCc1c(O)ccc(C(=O)[C@@H]2[C@H](c3c(O)ccc(C(=O)/C=C/c4ccc(O)cc4)c3O)C=C(C)C[C@H]2c2ccc(O)cc2)c1O

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found in taxon

Morus alba

2 references

stated in

Constituents of Morus alba L. cell cultures. 1 Structures of four new natural Diels-Alder type adducts, kuwanons J, Q, R, and V.

stated in

Four new natural Diels-Alder type adducts, mulberrofuran E, kuwanon Q,R, and V from callus culture of Morus alba L.

Identifiers

InChI

InChI=1S/C40H38O8/c1-22(2)4-14-28-34(44)18-16-30(38(28)46)40(48)36-31(25-8-12-27(42)13-9-25)20-23(3)21-32(36)37-35(45)19-15-29(39(37)47)33(43)17-7-24-5-10-26(41)11-6-24/h4-13,15-19,21,31-32,36,41-42,44-47H,14,20H2,1-3H3/b17-7+/t31-,32+,36-/m0/s1

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InChIKey

SUQUIVSLHDOSQP-QSYQOTCISA-N

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CAS Registry Number

89803-84-9

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

SUQUIVSLHDOSQP-QSYQOTCISA-N

1 reference

1 reference

matched by identifier from

InChIKey

SUQUIVSLHDOSQP-QSYQOTCISA-N

(Q105261301)

(2E)-1-[3-[(1R,5R,6S)-6-[2,4-Dihydroxy-3-(3-methyl-2-buten-1-yl)benzoyl]-5-(4-hydroxyphenyl)-3-methyl-2-cyclohexen-1-yl]-2,4-dihydroxyphenyl]-3-(4-hydroxyphenyl)-2-propen-1-one

Statements

Identifiers

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