Summary

IMPPAT Phytochemical identifier: IMPHY013018

Phytochemical name: Lansamide 4

Synonymous chemical names:
lansimide 4

External chemical identifiers:
CID:10519101, ChEBI:141548

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Chemical structure information

SMILES:
COC1N(C)C(=O)C(C(C1c1ccccc1)c1ccccc1)O

InChI:
InChI=1S/C19H21NO3/c1-20-18(22)17(21)15(13-9-5-3-6-10-13)16(19(20)23-2)14-11-7-4-8-12-14/h3-12,15-17,19,21H,1-2H3

InChIKey:
HGOXSQCBJLZRJO-UHFFFAOYSA-N

DeepSMILES:
COCNC)C=O)CCC6cccccc6)))))))cccccc6)))))))O

Functional groups:
CO, COC(C)N(C)C(C)=O

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CC(c2ccccc2)C(c2ccccc2)CN1

Scaffold Graph/Node level:
OC1CC(C2CCCCC2)C(C2CCCCC2)CN1

Scaffold Graph level:
CC1CCC(C2CCCCC2)C(C2CCCCC2)C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Stilbenes

NP Classifier Biosynthetic pathway: Alkaloids

NP-Likeness score: 0.583

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Chemical structure download