Summary

IMPPAT Phytochemical identifier: IMPHY013347

Phytochemical name: Vindolinine, hydrochloride

Synonymous chemical names:
vindolinine hydrochloride

External chemical identifiers:
CID:24190768, ChEMBL:CHEMBL1980833

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Chemical structure information

SMILES:
COC(=O)C1CC23C=CCN4C3C3(C1Nc1c3cccc1)C(C2C)C4.Cl

InChI:
InChI=1S/C21H24N2O2.ClH/c1-12-15-11-23-9-5-8-20(12)10-13(18(24)25-2)17-21(15,19(20)23)14-6-3-4-7-16(14)22-17;/h3-8,12-13,15,17,19,22H,9-11H2,1-2H3;1H

InChIKey:
NLXUZHWMDFTHOU-UHFFFAOYSA-N

DeepSMILES:
COC=O)CCCC=CCNC6CC%10Ncc5cccc6))))))))CC9C))C5.Cl

Functional groups:
CC=CC, CN(C)C, COC(C)=O, Cl, cNC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CC23CCC4Nc5ccccc5C45C(CN(C1)C25)C3

Scaffold Graph/Node level:
C1CCC2C(C1)NC1CCC34CCCN5CC(C3)C12C54

Scaffold Graph level:
C1CCC2C(C1)CC1CCC34CCCC5CC(C3)C12C54

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Indoles and derivatives

ClassyFire Subclass: Carbazoles

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tryptophan alkaloids

NP Classifier Class: Aspidosperma type

NP-Likeness score: 1.919

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Chemical structure download