Summary
IMPPAT Phytochemical identifier: IMPHY007931
Phytochemical name: Muramine
Synonymous chemical names:cryptopalmatine, muramine
External chemical identifiers:CID:288122, ChEMBL:CHEMBL1971249, FDASRS:EL76JUL1BM, SureChEMBL:SCHEMBL3271155
Chemical structure information
SMILES:
COc1cc2CCN(C)Cc3c(CC(=O)c2cc1OC)ccc(c3OC)OCInChI:
InChI=1S/C22H27NO5/c1-23-9-8-15-11-20(26-3)21(27-4)12-16(15)18(24)10-14-6-7-19(25-2)22(28-5)17(14)13-23/h6-7,11-12H,8-10,13H2,1-5H3InChIKey:
HUIJAZQRYSCNED-UHFFFAOYSA-NDeepSMILES:
COcccCCNC)CccCC=O)c%10cc%14OC)))))))cccc6OC)))OCFunctional groups:
CN(C)C, cC(C)=O, cOC
Molecular scaffolds
Scaffold Graph/Node/Bond level:
O=C1Cc2ccccc2CNCCc2ccccc21Scaffold Graph/Node level:
OC1CC2CCCCC2CNCCC2CCCCC12Scaffold Graph level:
CC1CC2CCCCC2CCCCC2CCCCC12
Chemical classification
ClassyFire Kingdom: Organic compoundsClassyFire Superclass: Alkaloids and derivativesClassyFire Class: Protopine alkaloids
NP Classifier Biosynthetic pathway: Alkaloids
NP Classifier Superclass: Tyrosine alkaloids
NP Classifier Class: Protopine alkaloids
NP-Likeness score: 0.63
Chemical structure download
