Summary
IMPPAT Phytochemical identifier: IMPHY012191
Phytochemical name: Laurifoline chloride
Synonymous chemical names:laurifoline chloride
External chemical identifiers:CID:37833
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);1HInChIKey:
XKKJKNSMTPBZJP-UHFFFAOYSA-NDeepSMILES:
COccc-ccO)cOC))ccc6CCc%10cc%14O)))))[N+]C)C)CC6.[Cl-]Functional groups:
C[N+](C)(C)C, [Cl-], cO, cOC
Molecular scaffolds
Scaffold Graph/Node/Bond level:
c1ccc2c(c1)CC1[NH2+]CCc3cccc-2c31Scaffold Graph/Node level:
C1CCC2C(C1)CC1NCCC3CCCC2C31Scaffold Graph level:
C1CCC2C(C1)CC1CCCC3CCCC2C31
Chemical classification
ClassyFire Kingdom: Organic compoundsClassyFire Superclass: Alkaloids and derivativesClassyFire Class: Aporphines
NP Classifier Biosynthetic pathway: Alkaloids
NP Classifier Superclass: Tyrosine alkaloids
NP Classifier Class: Isoquinoline alkaloids, Aporphine alkaloids
NP-Likeness score: 2.077
Chemical structure download
