IMPPAT: Indian Medicinal Plants, Phytochemistry And Therapeutics
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IMPPAT Phytochemical information:
6-Methylindan-4-ol
Summary
Physicochemical
Drug-likeness
ADMET
Descriptors
Summary
IMPPAT Phytochemical identifier:
IMPHY016470
Phytochemical name:
6-Methylindan-4-ol
Synonymous chemical names:
6-methyl-4-indanol
External chemical identifiers:
CID:88474
,
ZINC:ZINC000005765241
,
SureChEMBL:SCHEMBL3600359
Chemical structure information
SMILES:
Cc1cc(O)c2c(c1)CCC2
InChI:
InChI=1S/C10H12O/c1-7-5-8-3-2-4-9(8)10(11)6-7/h5-6,11H,2-4H2,1H3
InChIKey:
ZYSDYEFSMQZMQA-UHFFFAOYSA-N
DeepSMILES:
CcccO)ccc6)CCC5
Functional groups:
cO
Molecular scaffolds
Scaffold Graph/Node/Bond level:
c1ccc2c(c1)CCC2
Scaffold Graph/Node level:
C1CCC2CCCC2C1
Scaffold Graph level:
C1CCC2CCCC2C1
Chemical classification
ClassyFire Kingdom:
Organic compounds
ClassyFire Superclass:
Benzenoids
ClassyFire Class:
Indanes
NP-Likeness score:
0.582
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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