Summary

IMPPAT Phytochemical identifier: IMPHY010534

Phytochemical name: Laurifoline

Synonymous chemical names:
(+)-laurifoline, laurifoline

External chemical identifiers:
CID:12305611, ChEMBL:CHEMBL235429, ZINC:ZINC000002007968, MolPort-039-052-582

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Chemical structure information

SMILES:
COc1cc2-c3c(O)c(OC)cc4c3[C@H](Cc2cc1O)[N+](C)(C)CC4

InChI:
InChI=1S/C20H23NO4/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)/p+1/t14-/m0/s1

InChIKey:
ZDVDVLRYVOZWMP-AWEZNQCLSA-O

DeepSMILES:
COccc-ccO)cOC))ccc6[C@H]Cc%10cc%14O)))))[N+]C)C)CC6

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

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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 Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tyrosine alkaloids

NP Classifier Class: Isoquinoline alkaloids, Aporphine alkaloids

NP-Likeness score: 2.16

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Chemical structure download