Summary

IMPPAT Phytochemical identifier: IMPHY014012

Phytochemical name: Voaluteine

Synonymous chemical names:
pseudoindoxyl voacangine

External chemical identifiers:
CID:633439

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Chemical structure information

SMILES:
CCC1CC2CN3C1C(C2)(C(=O)OC)C1(CC3)Nc2c(C1=O)cc(cc2)OC

InChI:
InChI=1S/C22H28N2O4/c1-4-14-9-13-11-21(20(26)28-3)18(14)24(12-13)8-7-22(21)19(25)16-10-15(27-2)5-6-17(16)23-22/h5-6,10,13-14,18,23H,4,7-9,11-12H2,1-3H3

InChIKey:
ZZJBUKQZGMCYEE-UHFFFAOYSA-N

DeepSMILES:
CCCCCCNC6CC6)C=O)OC)))CCC6))NccC5=O))cccc6))OC

Functional groups:
CN(C)C, COC(C)=O, cC(C)=O, cNC, cOC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1c2ccccc2NC12CCN1CC3CCC1C2C3

Scaffold Graph/Node level:
OC1C2CCCCC2NC12CCN1CC3CCC1C2C3

Scaffold Graph level:
CC1C2CCCCC2CC12CCC1CC3CCC1C2C3

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Quinolizidines

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tryptophan alkaloids

NP Classifier Class: Iboga type

NP-Likeness score: 1.085

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Chemical structure download