Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID007142

Phytochemical name: Laurifoline chloride

Synonymous chemical names:
laurifoline chloride

External chemical identifiers:
CID:CID_37833

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Chemical structure information

SMILES:
COc1cc2-c3c(O)c(OC)cc4c3C(Cc2cc1O)[N+](C)(C)CC4.[Cl-]

InChI:
InChI=1S/C20H23NO4.ClH/c1-21(2)6-5-11-9-17(25-4)20(23)19-13-10-16(24-3)15(22)8-12(13)7-14(21)18(11)19;/h8-10,14H,5-7H2,1-4H3,(H-,22,23);1H

InChIKey:
XKKJKNSMTPBZJP-UHFFFAOYSA-N

DeepSMILES:
COccc-ccO)cOC))ccc6CCc%10cc%14O)))))[N+]C)C)CC6.[Cl-]

Functional groups:
cOC, cO, C[N+](C)(C)C, [Cl-]

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc2c(c1)CC1[NH2+]CCc3cccc-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-Likeness score: 2.077

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Chemical structure download