Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID011893

Phytochemical name: Lirinidine

Synonymous chemical names:
lirinidine, Lirinidine

External chemical identifiers:
CID:CID_31069, MolPort-046-509-032

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Chemical structure information

SMILES:
COc1cc2CCN([C@@H]3c2c(-c2ccccc2C3)c1O)C

InChI:
InChI=1S/C18H19NO2/c1-19-8-7-12-10-15(21-2)18(20)17-13-6-4-3-5-11(13)9-14(19)16(12)17/h3-6,10,14,20H,7-9H2,1-2H3/t14-/m0/s1

InChIKey:
YXVXMURDCBMPRH-AWEZNQCLSA-N

DeepSMILES:
COcccCCN[C@@H]c6c-cccccc6C%10)))))))c%10O)))))C

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

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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: 1.409

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Chemical structure download