IMPPAT: Indian Medicinal Plants, Phytochemistry And Therapeutics
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IMPPAT Phytochemical information:
Norjuziphine
Summary
Physicochemical
Drug-likeness
ADMET
Descriptors
Summary
IMPPAT Phytochemical identifier:
IMPHY001757
Phytochemical name:
Norjuziphine
Synonymous chemical names:
norjuziphine
External chemical identifiers:
CID:15690955
,
FDASRS:DZI29V0DP2
Chemical structure information
SMILES:
COc1ccc2c(c1O)[C@H](NCC2)Cc1ccc(cc1)O
InChI:
InChI=1S/C17H19NO3/c1-21-15-7-4-12-8-9-18-14(16(12)17(15)20)10-11-2-5-13(19)6-3-11/h2-7,14,18-20H,8-10H2,1H3/t14-/m1/s1
InChIKey:
BXWMZVREXWPYKF-CQSZACIVSA-N
DeepSMILES:
COcccccc6O))[C@H]NCC6)))Ccccccc6))O
Functional groups:
CNC, cO, cOC
Molecular scaffolds
Scaffold Graph/Node/Bond level:
c1ccc(CC2NCCc3ccccc32)cc1
Scaffold Graph/Node level:
C1CCC(CC2NCCC3CCCCC32)CC1
Scaffold Graph level:
C1CCC(CC2CCCC3CCCCC32)CC1
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, Tetrahydroisoquinoline alkaloids
NP-Likeness score:
1.336
Chemical structure download
2D:
2D MOL
2D MOL2
2D SDF
3D:
3D MOL
3D MOL2
3D SDF
3D PDB
3D PDBQT
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