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IMPPAT Phytochemical information:
7-Methoxy-6-methyl-9H-carbazol-3-ol
Summary
Physicochemical
Drug-likeness
ADMET
Descriptors
Summary
IMPPAT Phytochemical identifier:
IMPHY007998
Phytochemical name:
7-Methoxy-6-methyl-9H-carbazol-3-ol
Synonymous chemical names:
2-methoxy-3-methyl-6-hydroxycarbazole(glycozolidol), glycozolidol
External chemical identifiers:
CID:185895
,
SureChEMBL:SCHEMBL17817411
Chemical structure information
SMILES:
COc1cc2[nH]c3c(c2cc1C)cc(cc3)O
InChI:
InChI=1S/C14H13NO2/c1-8-5-10-11-6-9(16)3-4-12(11)15-13(10)7-14(8)17-2/h3-7,15-16H,1-2H3
InChIKey:
VSFAXCAPDWNRJI-UHFFFAOYSA-N
DeepSMILES:
COccc[nH]ccc5cc9C))))cccc6))O
Functional groups:
cO, 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:
0.51
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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