IMPPAT: Indian Medicinal Plants, Phytochemistry And Therapeutics
a curated database
HOME
BROWSE
BASIC SEARCH
ADVANCED SEARCH
STATISTICS
ACKNOWLEDGEMENT
HELP
IMPPAT Phytochemical information:
Norisoboldine
Summary
Physicochemical
Drug-likeness
ADMET
Descriptors
Summary
IMPPAT Phytochemical identifier:
IMPHY002577
Phytochemical name:
Norisoboldine
Synonymous chemical names:
norisoboldine
External chemical identifiers:
CID:14539911
,
ZINC:ZINC000014557980
,
MolPort-019-879-464
Chemical structure information
SMILES:
COc1cc2-c3c4[C@H](Cc2cc1O)NCCc4cc(c3O)OC
InChI:
InChI=1S/C18H19NO4/c1-22-14-8-11-10(6-13(14)20)5-12-16-9(3-4-19-12)7-15(23-2)18(21)17(11)16/h6-8,12,19-21H,3-5H2,1-2H3/t12-/m0/s1
InChIKey:
HORZNQYQXBFWNZ-LBPRGKRZSA-N
DeepSMILES:
COccc-cc[C@H]Cc6cc%10O)))))NCCc6ccc%10O))OC
Functional groups:
CNC, cO, cOC
Molecular scaffolds
Scaffold Graph/Node/Bond level:
c1ccc2c(c1)CC1NCCc3cccc-2c31
Scaffold Graph/Node level:
C1CCC2C(C1)CC1NCCC3CCCC2C31
Scaffold Graph level:
C1CCC2C(C1)CC1CCCC3CCCC2C31
Chemical classification
ClassyFire Kingdom:
Organic compounds
ClassyFire Superclass:
Alkaloids and derivatives
ClassyFire Class:
Aporphines
NP Classifier Biosynthetic pathway:
Alkaloids
NP Classifier Superclass:
Tyrosine alkaloids
NP Classifier Class:
Aporphine alkaloids, Isoquinoline alkaloids
NP-Likeness score:
1.939
Chemical structure download
2D:
2D MOL
2D MOL2
2D SDF
3D:
3D MOL
3D MOL2
3D SDF
3D PDB
3D PDBQT
Top