Summary

IMPPAT Phytochemical identifier: IMPHY001681

Phytochemical name: 6,7-Dimethoxy-1-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-5-ol

Synonymous chemical names:
anomuricine

External chemical identifiers:
CID:157209, ChEBI:174437

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Chemical structure information

SMILES:
COc1ccc(cc1)CC1NCCc2c1cc(OC)c(c2O)OC

InChI:
InChI=1S/C19H23NO4/c1-22-13-6-4-12(5-7-13)10-16-15-11-17(23-2)19(24-3)18(21)14(15)8-9-20-16/h4-7,11,16,20-21H,8-10H2,1-3H3

InChIKey:
SQMUQBYKHDACDD-UHFFFAOYSA-N

DeepSMILES:
COcccccc6))CCNCCcc6ccOC))cc6O))OC

Functional groups:
CNC, cO, cOC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc(CC2NCCc3ccccc32)cc1

Scaffold Graph/Node level:
C1CCC(CC2NCCC3CCCCC32)CC1

Scaffold Graph level:
C1CCC(CC2CCCC3CCCCC32)CC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Isoquinolines and derivatives

ClassyFire Subclass: Benzylisoquinolines

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tyrosine alkaloids

NP Classifier Class: Isoquinoline alkaloids

NP-Likeness score: 1.013

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Chemical structure download