IMPPAT Phytochemical information:
Voacryptine
Summary
IMPPAT Phytochemical identifier: IMPHY012485
Phytochemical name: Voacryptine
Synonymous chemical names:voacryptine
External chemical identifiers:CID:328233
Chemical structure information
SMILES:
COC(=O)C12C[C@H]3CN(C1[C@@H](C3)C(=O)C)CCc1c2[nH]c2c1cccc2InChI:
InChI=1S/C21H24N2O3/c1-12(24)16-9-13-10-21(20(25)26-2)18-15(7-8-23(11-13)19(16)21)14-5-3-4-6-17(14)22-18/h3-6,13,16,19,22H,7-11H2,1-2H3/t13-,16-,19?,21?/m0/s1InChIKey:
WLHKFNKQLUMXHS-KJJXPLKASA-NDeepSMILES:
COC=O)CC[C@H]CNC6[C@@H]C6)C=O)C))))CCcc9[nH]cc5cccc6Functional groups:
CC(C)=O, CN(C)C, COC(C)=O, c[nH]c
Molecular scaffolds
Scaffold Graph/Node/Bond level:
c1ccc2c3c([nH]c2c1)C1CC2CCC1N(CC3)C2Scaffold Graph/Node level:
C1CCC2C(C1)NC1C2CCN2CC3CCC2C1C3Scaffold Graph level:
C1CCC2C(C1)CC1C2CCC2CC3CCC2C1C3
Chemical classification
ClassyFire Kingdom: Organic compoundsClassyFire Superclass: Alkaloids and derivativesClassyFire Class: Ibogan-type alkaloids
NP Classifier Biosynthetic pathway: Alkaloids
NP Classifier Superclass: Tryptophan alkaloids
NP Classifier Class: Iboga type
NP-Likeness score: 1.319
Chemical structure download