Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID014918

Phytochemical name: Rhazimine

Synonymous chemical names:
rhazimine

External chemical identifiers:
CID:CID_6443646

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Chemical structure information

SMILES:
COC(=O)[C@]12C=Nc3c(C42CCN2[C@@H](C[C@H]1/C(=C\C)/C2)C4=O)cccc3

InChI:
InChI=1S/C21H22N2O3/c1-3-13-11-23-9-8-20-14-6-4-5-7-16(14)22-12-21(20,19(25)26-2)15(13)10-17(23)18(20)24/h3-7,12,15,17H,8-11H2,1-2H3/b13-3-/t15-,17-,20?,21-/m0/s1

InChIKey:
NOEROADCEPGVQJ-NWIDGOBQSA-N

DeepSMILES:
COC=O)[C@@]C=NccC6CCN[C@@H]C[C@H]%12/C=C\C))/C6))))C6=O)))))))cccc6

Functional groups:
COC(C)=O, cN=CC, CN(C)C, C/C=C(/C)C, CC(=O)C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CN2CCC34C(=O)C2CC1C3C=Nc1ccccc14

Scaffold Graph/Node level:
CC1CN2CCC34C(O)C2CC1C3CNC1CCCCC14

Scaffold Graph level:
CC1CC2CCC34C(C)C2CC1C3CCC1CCCCC14

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Quinolines and derivatives

ClassyFire Subclass: Benzoquinolines

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tryptophan alkaloids

NP Classifier Class: Corynanthe type

NP-Likeness score: 1.568

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Chemical structure download