IMPPAT: Indian Medicinal Plants, Phytochemistry And Therapeutics
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IMPPAT Phytochemical information:
Glycozoline
Summary
Physicochemical
Drug-likeness
ADMET
Descriptors
Summary
IMPPAT Phytochemical identifier:
IMPHY007573
Phytochemical name:
Glycozoline
Synonymous chemical names:
3-methyl-6-methoxy-carbazole(glycozoline), glycozoline
External chemical identifiers:
CID:96944
,
ChEMBL:CHEMBL2260669
,
SureChEMBL:SCHEMBL11981403
Chemical structure information
SMILES:
COc1ccc2c(c1)c1cc(C)ccc1[nH]2
InChI:
InChI=1S/C14H13NO/c1-9-3-5-13-11(7-9)12-8-10(16-2)4-6-14(12)15-13/h3-8,15H,1-2H3
InChIKey:
GQGQTPKMCGBOKG-UHFFFAOYSA-N
DeepSMILES:
COcccccc6)cccC)ccc6[nH]9
Functional groups:
cOC, c[nH]c
Molecular scaffolds
Scaffold Graph/Node/Bond level:
c1ccc2c(c1)[nH]c1ccccc12
Scaffold Graph/Node level:
C1CCC2C(C1)NC1CCCCC12
Scaffold Graph level:
C1CCC2C(C1)CC1CCCCC12
Chemical classification
ClassyFire Kingdom:
Organic compounds
ClassyFire Superclass:
Organoheterocyclic compounds
ClassyFire Class:
Indoles and derivatives
ClassyFire Subclass:
Carbazoles
NP Classifier Biosynthetic pathway:
Alkaloids
NP Classifier Superclass:
Tryptophan alkaloids
NP Classifier Class:
Carbazole alkaloids
NP-Likeness score:
-0.235
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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