(Q104970100)

English

(E)-1-[(2R)-7-hydroxy-5-methoxy-2-methyl-2-(4-methylpent-3-enyl)chromen-8-yl]-3-phenylprop-2-en-1-one

chemical compound

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Statements

instance of

type of chemical entity

0 references

1 reference

1-[7-Hydroxy-5-methoxy-2-methyl-2-(4-methylpent-3-enyl)chromen-8-yl]-3-phenylprop-2-en-1-one

1 reference

based on heuristic

inferred from SMILES

mass

404.198759376 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(E)-1-[(2S)-7-hydroxy-5-methoxy-2-methyl-2-(4-methylpent-3-enyl)chromen-8-yl]-3-phenylprop-2-en-1-one

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₆H₂₈O₄

0 references

canonical SMILES

O=C(C=CC=1C=CC=CC1)C2=C(O)C=C(OC)C=3C=CC(OC32)(C)CCC=C(C)C

0 references

isomeric SMILES

COc1cc(O)c(C(=O)/C=C/c2ccccc2)c2c1C=C[C@@](C)(CCC=C(C)C)O2

0 references

found in taxon

Boesenbergia rotunda

2 references

stated in

(1'RS,2'SR,6'RS)-(2,6-Dihydroxy-4-methoxyphenyl)-[3'-methyl-2'-(3''-methylbut-2''-enyl)-6'-phenyl-cyclohex-3'-enyl]methanone (panduratin A)-a Constituent of the Red Rhizomers of a variety of Boesenbergia pandurata

stated in

Bioactive secondary metabolites from Boesenbergia pandurata of Myanmar and their preferential cytotoxicity against human pancreatic cancer PANC-1 cell line in nutrient-deprived medium.

Identifiers

InChI

InChI=1S/C26H28O4/c1-18(2)9-8-15-26(3)16-14-20-23(29-4)17-22(28)24(25(20)30-26)21(27)13-12-19-10-6-5-7-11-19/h5-7,9-14,16-17,28H,8,15H2,1-4H3/b13-12+/t26-/m1/s1

0 references

InChIKey

CTWSWRSNFKNYMF-WUZNFDRSSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

CTWSWRSNFKNYMF-WUZNFDRSSA-N

(Q104970100)

(E)-1-[(2R)-7-hydroxy-5-methoxy-2-methyl-2-(4-methylpent-3-enyl)chromen-8-yl]-3-phenylprop-2-en-1-one

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