Summary

IMPPAT Phytochemical identifier: IMPHY008737

Phytochemical name: Rhetsinine

Synonymous chemical names:
rhetsinine, rhetsinine (hydroxyevodiamine)

External chemical identifiers:
CID:99652, ChEMBL:CHEMBL508030, SureChEMBL:SCHEMBL14478778

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Chemical structure information

SMILES:
CNc1ccccc1C(=O)N1CCc2c(C1=O)[nH]c1c2cccc1

InChI:
InChI=1S/C19H17N3O2/c1-20-15-8-4-3-7-14(15)18(23)22-11-10-13-12-6-2-5-9-16(12)21-17(13)19(22)24/h2-9,20-21H,10-11H2,1H3

InChIKey:
RAEOYMOPVHBBKE-UHFFFAOYSA-N

DeepSMILES:
CNcccccc6C=O)NCCccC6=O))[nH]cc5cccc6

Functional groups:
cC(=O)N(C)C(c)=O, cNC, c[nH]c

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C(c1ccccc1)N1CCc2c([nH]c3ccccc23)C1=O

Scaffold Graph/Node level:
OC(C1CCCCC1)N1CCC2C3CCCCC3NC2C1O

Scaffold Graph level:
CC(C1CCCCC1)C1CCC2C3CCCCC3CC2C1C

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Indoles and derivatives

ClassyFire Subclass: Pyridoindoles

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tryptophan alkaloids

NP Classifier Class: Carboline alkaloids

NP-Likeness score: -0.3

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Chemical structure download