Summary
IMPPAT Phytochemical identifier: IMPHY010626
Phytochemical name: Kumujian A
Synonymous chemical names:kumujian a
Chemical structure information
SMILES:CCOC(=O)c1nccc2c1[nH]c1c2cccc1InChI:InChI=1S/C14H12N2O2/c1-2-18-14(17)13-12-10(7-8-15-13)9-5-3-4-6-11(9)16-12/h3-8,16H,2H2,1H3InChIKey:CFXOOHNXLDSCHT-UHFFFAOYSA-N
DeepSMILES:CCOC=O)cncccc6[nH]cc5cccc6
Functional groups:cC(=O)OC, c[nH]c, cnc
Molecular scaffolds
Scaffold Graph/Node/Bond level:c1ccc2c(c1)[nH]c1cnccc12
Scaffold Graph/Node level:C1CCC2C(C1)NC1CNCCC12
Scaffold Graph level:C1CCC2C(C1)CC1CCCCC12
Chemical classification
ClassyFire Kingdom: Organic compounds
ClassyFire Superclass: Alkaloids and derivativesClassyFire Class: Harmala alkaloids
NP Classifier Biosynthetic pathway: Alkaloids
NP Classifier Superclass: Tryptophan alkaloids
NP Classifier Class: Carboline alkaloids
NP-Likeness score: -0.005
Chemical structure download