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3-O-acetyl-4'-O-demethylpapaveroxine

Properties

Image

Occurences in reactions

MNX_ID

MNXM114541

	#reac
in my sandbox	0
in MNXref (generic)	3
in models (compartimentalized)	0

formula

C₂₃H₂₅NO₈

charge

mass

443.15802

reference

chebi:141643

InChIKey

XKBBRFAPWMBHPG-KNQAVFIVSA-N

InChI

InChI=1S/C23H25NO8/c1-12(26)32-22(14-5-6-16(28-3)21(29-4)15(14)10-25)19-18-13(7-8-24(19)2)9-17-23(20(18)27)31-11-30-17/h5-6,9-10,19,22,27H,7-8,11H2,1-4H3/t19-,22+/m1/s1

SMILES

COc1ccc([C@H](OC(C)=O)[C@H]2c3c(cc4c(c3O)OCO4)CCN2C)c(C=O)c1OC

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:141643 chebi:141643	3-O-acetyl-4'-O-demethylpapaveroxine (S)-(2-formyl-3,4-dimethoxyphenyl)[(5R)-4-hydroxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl]methyl acetate 4'-O-desmethyl-3-O-acetylpapaveroxine
metacyc.compound:CPD-14831 metacycM:CPD-14831 seed.compound:cpd34819 seedM:cpd34819	3-O-acetyl-4'-O-demethylpapaveroxine
kegg.compound:C21590 keggC:C21590	4'-O-Desmethyl-3-O-acetylpapaveroxine 3-O-Acetyl-4'-O-demethylpapaveroxine
keggC:M_C21590 seedM:M_cpd34819	secondary/obsolete/fantasy identifier