Summary
IMPPAT Phytochemical identifier: IMPHY009000
Phytochemical name: 1-ethyl-4-methoxy-9H-pyrido[3,4-b]indol-8-ol
Synonymous chemical names:picrasidine j
External chemical identifiers:CID:5320553, ChEMBL:CHEMBL3400669, ZINC:ZINC000015118733, MolPort-035-705-723
Chemical structure information
SMILES:
CCc1ncc(c2c1[nH]c1c2cccc1O)OCInChI:
InChI=1S/C14H14N2O2/c1-3-9-14-12(11(18-2)7-15-9)8-5-4-6-10(17)13(8)16-14/h4-7,16-17H,3H2,1-2H3InChIKey:
BKAUNKSTECWQGT-UHFFFAOYSA-NDeepSMILES:
CCcncccc6[nH]cc5cccc6O))))))))))OCFunctional groups:
cO, cOC, c[nH]c, cnc
Molecular scaffolds
Scaffold Graph/Node/Bond level:
c1ccc2c(c1)[nH]c1cnccc12Scaffold Graph/Node level:
C1CCC2C(C1)NC1CNCCC12Scaffold Graph level:
C1CCC2C(C1)CC1CCCCC12
Chemical classification
ClassyFire Kingdom: Organic compoundsClassyFire 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: 0.932
Chemical structure download