Summary

IMPPAT Phytochemical identifier: IMPHY006778

Phytochemical name: Lansimide 2

Synonymous chemical names:
lansimide 2

External chemical identifiers:
CID:131751227

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Chemical structure information

SMILES:
CN1C(O)C(c2ccccc2)C(C(C1=O)O)c1ccccc1.CN1C=Cc2ccccc2C(C(C1=O)O)c1ccccc1

InChI:
InChI=1S/C18H19NO3.C18H17NO2/c1-19-17(21)15(13-10-6-3-7-11-13)14(16(20)18(19)22)12-8-4-2-5-9-12;1-19-12-11-13-7-5-6-10-15(13)16(17(20)18(19)21)14-8-3-2-4-9-14/h2-11,14-17,20-21H,1H3;2-12,16-17,20H,1H3/b;12-11-

InChIKey:
JEXLBHFKFVMTFT-LATCQUSVSA-N

DeepSMILES:
CNCO)Ccccccc6))))))CCC6=O))O))cccccc6.CNC=Ccccccc6CCC%12=O))O))cccccc6

Functional groups:
CC(=O)N(C)C(C)O, CO, c/C=CN(C)C(C)=O

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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: 0.359

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Chemical structure download