Summary

IMPPAT Phytochemical identifier: IMPHY008409

Phytochemical name: Liriodendronine

Synonymous chemical names:
liriodendronine

External chemical identifiers:
CID:5376837

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Chemical structure information

SMILES:
O=C1C(=O)C=C2c3c1c1ccccc1c(c3NC=C2)O

InChI:
InChI=1S/C16H9NO3/c18-11-7-8-5-6-17-14-12(8)13(16(11)20)9-3-1-2-4-10(9)15(14)19/h1-7,17,19H

InChIKey:
QLIKXXBOGDPNGC-UHFFFAOYSA-N

DeepSMILES:
O=CC=O)C=Ccc6cccccc6cc%10NC=C%14))))O

Functional groups:
O=C1C=C2C=CNcc2cC1=O, cO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1C=C2C=CNc3cc4ccccc4c(c32)C1=O

Scaffold Graph/Node level:
OC1CC2CCNC3CC4CCCCC4C(C1O)C23

Scaffold Graph level:
CC1CC2CCCC3CC4CCCCC4C(C1C)C23

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Alkaloids and derivatives

ClassyFire Class: Aporphines

NP-Likeness score: 1.504

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Chemical structure download