Summary

IMPPAT Phytochemical identifier: IMPHY003160

Phytochemical name: Vincarodine

Synonymous chemical names:
vincarodine

External chemical identifiers:
CID:298042

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Chemical structure information

SMILES:
COC(=O)C12OC3C(C1)(CC)C1c4n2c2cc(OC)ccc2c4CCN1CC3O

InChI:
InChI=1S/C22H26N2O5/c1-4-21-11-22(20(26)28-3)24-15-9-12(27-2)5-6-13(15)14-7-8-23(18(21)17(14)24)10-16(25)19(21)29-22/h5-6,9,16,18-19,25H,4,7-8,10-11H2,1-3H3

InChIKey:
DFVNOPYNGMIZGL-UHFFFAOYSA-N

DeepSMILES:
COC=O)COCCC5)CC))Ccn7cccOC))ccc6c9CCN%13CC%17O

Functional groups:
CN(C)C, CO, COC, COC(C)=O, cOC, cn(c)C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc2c(c1)c1c3n2C2CC4C(CCN(CC1)C34)O2

Scaffold Graph/Node level:
C1CCC2C(C1)C1CCN3CCC4OC5CC4C3C1N52

Scaffold Graph level:
C1CCC2C(C1)C1CCC3CCC4CC5CC4C3C1C52

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Alkaloids and derivatives

ClassyFire Class: Indolonaphthyridine alkaloids

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tryptophan alkaloids

NP Classifier Class: Iboga type

NP-Likeness score: 1.073

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Chemical structure download