(Q105251185)

English

[(1R,2S,6S)-2-[2,6-dihydroxy-4-(6-hydroxy-1-benzofuran-2-yl)phenyl]-6-(2,4-dihydroxyphenyl)-4-methylcyclohex-3-en-1-yl]-[2,4-dihydroxy-3-(3-methylbut-2-enyl)phenyl]methanone

chemical compound

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instance of

type of chemical entity

0 references

1 reference

648.235932732 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(1R,2S,6R)-2-[2,6-dihydroxy-4-(6-hydroxy-1-benzofuran-2-yl)phenyl]-6-(2,4-dihydroxyphenyl)-4-methylcyclohex-3-en-1-yl]-[2,4-dihydroxy-3-(3-methylbut-2-enyl)phenyl]methanone

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

[(1R,2R,6S)-2-[2,6-dihydroxy-4-(6-hydroxy-1-benzofuran-2-yl)phenyl]-6-(2,4-dihydroxyphenyl)-4-methylcyclohex-3-en-1-yl]-[2,4-dihydroxy-3-(3-methylbut-2-enyl)phenyl]methanone

1 reference

based on heuristic

inferred from InChI

[(1S,2R,6R)-2-[2,6-dihydroxy-4-(6-hydroxy-1-benzofuran-2-yl)phenyl]-6-(2,4-dihydroxyphenyl)-4-methylcyclohex-3-en-1-yl]-[2,4-dihydroxy-3-(3-methylbut-2-enyl)phenyl]methanone

1 reference

1 reference

C₃₉H₃₆O₉

0 references

canonical SMILES

O=C(C1=CC=C(O)C(=C1O)CC=C(C)C)C2C(C=C(C)CC2C3=CC=C(O)C=C3O)C4=C(O)C=C(C=C4O)C=5OC=6C=C(O)C=CC6C5

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isomeric SMILES

CC(C)=CCc1c(O)ccc(C(=O)[C@H]2[C@@H](c3c(O)cc(-c4cc5ccc(O)cc5o4)cc3O)C=C(C)C[C@@H]2c2ccc(O)cc2O)c1O

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found in taxon

Morus alba

3 references

stated in

Absolute Configuration of Natural Diels-Alder Type Adducts from the Morus Root Bark

stated in

Direct NMR evidence for the equivalent participation of L-phenylalanine and L-tyrosine in the biosynthesis of the intermolecular Diels–Alder type adducts of prenylchalcone and prenylated 2-arylbenzofuran in Morus alba cell cultures

stated in

Bioassay-guided screening and isolation of α-glucosidase and tyrosinase inhibitors from leaves of Morus alba

Morus notabilis

2 references

stated in

New isoprenylated flavonoids and adipogenesis-promoting constituents from Morus notabilis

stated in

New isoprenylated flavonoids and adipogenesis-promoting constituents from Morus notabilis

Morus mongolica

1 reference

stated in

Five new diels-alder type adducts from the stem and root bark of Morus mongolica

Identifiers

InChI

InChI=1S/C39H36O9/c1-19(2)4-8-26-30(42)11-10-27(38(26)46)39(47)36-28(25-9-7-23(40)17-31(25)43)12-20(3)13-29(36)37-32(44)14-22(15-33(37)45)34-16-21-5-6-24(41)18-35(21)48-34/h4-7,9-11,13-18,28-29,36,40-46H,8,12H2,1-3H3/t28-,29+,36-/m1/s1

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InChIKey

SEHVRKPXIDOTRX-QQDDVHTNSA-N

0 references

CAS Registry Number

76472-89-4

1 reference

stated in

CAS (formerly Chemical Abstracts Service)

25 January 2022

2 references

26 December 2021

matched by identifier from

InChIKey

SEHVRKPXIDOTRX-QQDDVHTNSA-N

1 reference

(Q105251185)

[(1R,2S,6S)-2-[2,6-dihydroxy-4-(6-hydroxy-1-benzofuran-2-yl)phenyl]-6-(2,4-dihydroxyphenyl)-4-methylcyclohex-3-en-1-yl]-[2,4-dihydroxy-3-(3-methylbut-2-enyl)phenyl]methanone

Statements

Identifiers

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