Summary

IMPPAT Phytochemical identifier: IMPHY000142

Phytochemical name: (4S)-4-(4-hydroxyphenyl)-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-5-ol

Synonymous chemical names:
latifine

External chemical identifiers:
CID:11196899, ZINC:ZINC000038285988

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Chemical structure information

SMILES:
COc1ccc2c(c1O)[C@@H](CN(C2)C)c1ccc(cc1)O

InChI:
InChI=1S/C17H19NO3/c1-18-9-12-5-8-15(21-2)17(20)16(12)14(10-18)11-3-6-13(19)7-4-11/h3-8,14,19-20H,9-10H2,1-2H3/t14-/m0/s1

InChIKey:
YKBSLDJRMFMWHQ-AWEZNQCLSA-N

DeepSMILES:
COcccccc6O))[C@@H]CNC6)C)))cccccc6))O

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc(C2CNCc3ccccc32)cc1

Scaffold Graph/Node level:
C1CCC(C2CNCC3CCCCC32)CC1

Scaffold Graph level:
C1CCC(C2CCCC3CCCCC32)CC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Tetrahydroisoquinolines

ClassyFire Subclass: 4-phenyltetrahydroisoquinolines

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tyrosine alkaloids

NP Classifier Class: Tetrahydroisoquinoline alkaloids

NP-Likeness score: 0.683

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Chemical structure download