(Q105156810)

English

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

662.251582796 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

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

1 reference

based on heuristic

inferred from InChI

chemical formula

C₄₀H₃₈O₉

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=C4O)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)cc2O)c1O

0 references

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/C40H38O9/c1-21(2)4-11-27-33(44)16-14-29(38(27)47)40(49)36-30(26-12-10-25(42)20-35(26)46)18-22(3)19-31(36)37-34(45)17-13-28(39(37)48)32(43)15-7-23-5-8-24(41)9-6-23/h4-10,12-17,19-20,30-31,36,41-42,44-48H,11,18H2,1-3H3/b15-7+/t30-,31+,36-/m0/s1

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InChIKey

LSWPUMCBBKEXMW-WGAWTAOUSA-N

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CAS Registry Number

89803-85-0

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

LSWPUMCBBKEXMW-WGAWTAOUSA-N

1 reference

1 reference

matched by identifier from

InChIKey

LSWPUMCBBKEXMW-WGAWTAOUSA-N

KNApSAcK ID

C00063313

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

LSWPUMCBBKEXMW-WGAWTAOUSA-N

(Q105156810)

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

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