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3-O-acetylpapaveroxine

Properties

Image

Occurences in reactions

MNX_ID

MNXM114540

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

formula

C₂₄H₂₇NO₈

charge

mass

457.17367

reference

chebi:141645

InChIKey

JUUOWVIBIPDOSQ-IRLDBZIGSA-N

InChI

InChI=1S/C24H27NO8/c1-13(27)33-22(15-6-7-17(28-3)21(29-4)16(15)11-26)20-19-14(8-9-25(20)2)10-18-23(24(19)30-5)32-12-31-18/h6-7,10-11,20,22H,8-9,12H2,1-5H3/t20-,22+/m1/s1

SMILES

COc1ccc([C@H](OC(C)=O)[C@H]2c3c(cc4c(c3OC)OCO4)CCN2C)c(C=O)c1OC

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:141645 chebi:141645	3-O-acetylpapaveroxine (S)-(2-formyl-3,4-dimethoxyphenyl)[(5R)-4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl]methyl acetate
kegg.compound:C21591 keggC:C21591	3-O-Acetylpapaveroxine
metacyc.compound:CPD-14832 metacycM:CPD-14832 seed.compound:cpd34176 seedM:cpd34176	3-O-aceylpapaveroxine
keggC:M_C21591 seedM:M_cpd34176	secondary/obsolete/fantasy identifier