Summary

IMPPAT Phytochemical identifier: IMPHY009402

Phytochemical name: Norlobelanine

Synonymous chemical names:
norlobelanine

External chemical identifiers:
CID:12311086, ZINC:ZINC000002539690, FDASRS:93749AEP09, SureChEMBL:SCHEMBL14208954

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Chemical structure information

SMILES:
O=C(c1ccccc1)C[C@@H]1CCC[C@@H](N1)CC(=O)c1ccccc1

InChI:
InChI=1S/C21H23NO2/c23-20(16-8-3-1-4-9-16)14-18-12-7-13-19(22-18)15-21(24)17-10-5-2-6-11-17/h1-6,8-11,18-19,22H,7,12-15H2/t18-,19+

InChIKey:
OMAMGHBETNHQJC-KDURUIRLSA-N

DeepSMILES:
O=Ccccccc6))))))C[C@@H]CCC[C@@H]N6)CC=O)cccccc6

Functional groups:
CNC, cC(C)=O

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C(CC1CCCC(CC(=O)c2ccccc2)N1)c1ccccc1

Scaffold Graph/Node level:
OC(CC1CCCC(CC(O)C2CCCCC2)N1)C1CCCCC1

Scaffold Graph level:
CC(CC1CCCC(CC(C)C2CCCCC2)C1)C1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Carbonyl compounds

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Lysine alkaloids

NP Classifier Class: Piperidine alkaloids

NP-Likeness score: 0.226

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Chemical structure download