(Q104400269)

English

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

chemical compound

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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-(2,4-dihydroxyphenyl)prop-2-en-1-one

1 reference

based on heuristic

inferred from SMILES

mass

678.246497416 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

2-Propen-1-one, 1-(3-((1S,5R,6S)-6-(2,4-dihydroxy-3-(3-methyl-2-butenyl)benzoyl)-5-(2,4-dihydroxyphenyl)-3-methyl-2-cyclohexen-1-yl)-2,4-dihydroxyphenyl)-3-(2,4-dihydroxyphenyl)-, (2E)-

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(E)-1-[3-[(1R,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-(2,4-dihydroxyphenyl)prop-2-en-1-one

1 reference

based on heuristic

inferred from InChI

(2E)-1-[3-[(1S,5S,6R)-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-(2,4-dihydroxyphenyl)-2-propen-1-one

1 reference

based on heuristic

inferred from InChI

chemical formula

C₄₀H₃₈O₁₀

0 references

canonical SMILES

O=C(C=CC1=CC=C(O)C=C1O)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

0 references

isomeric SMILES

CC(C)=CCc1c(O)ccc(C(=O)[C@@H]2[C@H](c3c(O)ccc(C(=O)/C=C/c4ccc(O)cc4O)c3O)C=C(C)C[C@H]2c2ccc(O)cc2O)c1O

0 references

found in taxon

Morus bombycis

1 reference

stated in

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

Morus mongolica

1 reference

stated in

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

Sorocea guilleminiana

2 references

stated in

A new phenolic glycoside from Sorocea ilicifolia stem bark

stated in

Sorocein L and Sorocein M: Two Diels−Alder Type Adducts fromSorocea ilicifolia

Sorocea hilarii

2 references

stated in

Sorocein L and Sorocein M: Two Diels−Alder Type Adducts fromSorocea ilicifolia

stated in

A new phenolic glycoside from Sorocea ilicifolia stem bark

Morus australis

1 reference

stated in

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

Morus indica

1 reference

stated in

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

Morus alba

7 references

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

Parallel Contribution of L-Phenylalanine and L-Tyrosine to the Biosynthesis of Prenylchalcones in Morus alba Cell Cultures

stated in

Late Stage of Biosynthesis of Intermolecular Diels-Alder Type Adducts in Morus alba L. Cell Cultures

stated in

Dual p-Coumaroyl CoA Biosynthesis in Morus alba Cell Cultures

stated in

Biosynthesis of chalcomoracin and kuwanon J, the Diels-Alder type adducts, in Morus alba L. cell cultures.

stated in

Biosynthesis of optically active Diels–Alder type adducts revealed by an aberrant metabolism of O-methylated precursors in Morus alba cell cultures

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.

Sorocea bonplandii

4 references

stated in

Three New Flavanone Derivatives from the Root Bark of Sorocea bonplandii Baillon

stated in

Sorocenols C-F, Four New Isoprenylated Phenols from the Root Bark of Sorocea bonplandii Baillon

stated in

Sorocein L and Sorocein M: Two Diels−Alder Type Adducts fromSorocea ilicifolia

stated in

A new phenolic glycoside from Sorocea ilicifolia stem bark

Identifiers

InChI

InChI=1S/C40H38O10/c1-20(2)4-9-26-32(44)14-12-28(38(26)48)40(50)36-29(25-10-8-24(42)19-35(25)47)16-21(3)17-30(36)37-33(45)15-11-27(39(37)49)31(43)13-6-22-5-7-23(41)18-34(22)46/h4-8,10-15,17-19,29-30,36,41-42,44-49H,9,16H2,1-3H3/b13-6+/t29-,30+,36-/m0/s1

0 references

InChIKey

KBAPHKOHTBBCTO-SDHKVNBFSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

KBAPHKOHTBBCTO-SDHKVNBFSA-N

1 reference

(Q104400269)

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

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