Summary

IMPPAT Phytochemical identifier: IMPHY008416

Phytochemical name: Lirinine

Synonymous chemical names:
lirinine

External chemical identifiers:
CID:56955843

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Chemical structure information

SMILES:
COc1c2-c3ccccc3C[C@@H]3c2c(c(c1OC)O)CCN3C

InChI:
InChI=1S/C19H21NO3/c1-20-9-8-13-15-14(20)10-11-6-4-5-7-12(11)16(15)18(22-2)19(23-3)17(13)21/h4-7,14,21H,8-10H2,1-3H3/t14-/m1/s1

InChIKey:
LOQQSHSYGZJEPL-CQSZACIVSA-N

DeepSMILES:
COcc-cccccc6C[C@@H]c%10ccc%14OC)))O))CCN6C

Functional groups:
CN(C)C, cO, cOC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc2c(c1)CC1NCCc3cccc-2c31

Scaffold Graph/Node level:
C1CCC2C(C1)CC1NCCC3CCCC2C31

Scaffold Graph level:
C1CCC2C(C1)CC1CCCC3CCCC2C31

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Alkaloids and derivatives

ClassyFire Class: Aporphines

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tyrosine alkaloids

NP Classifier Class: Aporphine alkaloids, Isoquinoline alkaloids

NP-Likeness score: 1.509

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Chemical structure download