Summary
IMPPAT Phytochemical identifier: IMPHY011283
Phytochemical name: 19-Epischolaricine
Synonymous chemical names:19-epi-scholaricine, 19-epischolaricine, epischolaricine, 19-
External chemical identifiers:CID:101587171
Chemical structure information
SMILES:
COC(=O)C1=C2Nc3c(C42[C@@H]2C[C@H]1[C@H](CN2CC4)[C@H](O)C)cccc3OInChI:
InChI=1S/C20H24N2O4/c1-10(23)12-9-22-7-6-20-13-4-3-5-14(24)17(13)21-18(20)16(19(25)26-2)11(12)8-15(20)22/h3-5,10-12,15,21,23-24H,6-9H2,1-2H3/t10-,11+,12-,15+,20?/m1/s1InChIKey:
GNCUCBQZLQLSOF-GFCAGFEPSA-NDeepSMILES:
COC=O)C=CNccC5[C@@H]C[C@H]9[C@H]CN6CC9))))[C@H]O)C)))))))cccc6OFunctional groups:
CN(C)C, CO, cNC(C)=C(C)C(=O)OC, cO
Molecular scaffolds
Scaffold Graph/Node/Bond level:
C1=C2Nc3ccccc3C23CCN2CCC1CC23Scaffold Graph/Node level:
C1CCC2C(C1)NC1CC3CCN4CCC12C4C3Scaffold Graph level:
C1CCC2C(C1)CC1CC3CCC4CCC12C4C3
Chemical classification
ClassyFire Kingdom: Organic compoundsClassyFire Superclass: Alkaloids and derivativesClassyFire Class: Strychnos alkaloids
NP Classifier Biosynthetic pathway: Alkaloids
NP Classifier Superclass: Tryptophan alkaloids
NP Classifier Class: Corynanthe type, Strychnos type
NP-Likeness score: 2.068
Chemical structure download