IMPPAT: Indian Medicinal Plants, Phytochemistry And Therapeutics
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IMPPAT Phytochemical information:
Noroliveroline
Summary
Physicochemical
Drug-likeness
ADMET
Descriptors
Summary
IMPPAT Phytochemical identifier:
IMPHY015024
Phytochemical name:
Noroliveroline
Synonymous chemical names:
noroliveroline
External chemical identifiers:
CID:158566
,
ChEMBL:CHEMBL464657
Chemical structure information
SMILES:
O[C@H]1c2ccccc2-c2c3[C@@H]1NCCc3cc1c2OCO1
InChI:
InChI=1S/C17H15NO3/c19-16-11-4-2-1-3-10(11)14-13-9(5-6-18-15(13)16)7-12-17(14)21-8-20-12/h1-4,7,15-16,18-19H,5-6,8H2/t15-,16-/m0/s1
InChIKey:
CKIYSMRPIBQTHQ-HOTGVXAUSA-N
DeepSMILES:
O[C@H]cccccc6-cc[C@@H]%10NCCc6ccc%10OCO5
Functional groups:
CNC, CO, c1cOCO1
Molecular scaffolds
Scaffold Graph/Node/Bond level:
c1ccc2c(c1)CC1NCCc3cc4c(c-2c31)OCO4
Scaffold Graph/Node level:
C1CCC2C(C1)CC1NCCC3CC4OCOC4C2C31
Scaffold Graph level:
C1CCC2C(C1)CC1CCCC3CC4CCCC4C2C13
Chemical classification
ClassyFire Kingdom:
Organic compounds
ClassyFire Superclass:
Alkaloids and derivatives
ClassyFire Class:
Aporphines
ClassyFire Subclass:
Hydroxy-7-aporphines
NP Classifier Biosynthetic pathway:
Alkaloids
NP Classifier Superclass:
Tyrosine alkaloids
NP Classifier Class:
Aporphine alkaloids
NP-Likeness score:
1.787
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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