IMPPAT: Indian Medicinal Plants, Phytochemistry And Therapeutics
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IMPPAT Phytochemical information:
Naphthalene, decahydro-2,3-dimethyl-
Summary
Physicochemical
Drug-likeness
ADMET
Descriptors
Summary
IMPPAT Phytochemical identifier:
IMPHY016302
Phytochemical name:
Naphthalene, decahydro-2,3-dimethyl-
Synonymous chemical names:
2,3-naphthalene decahydrodimethyl, naphthalene, decahydro-2,3-dimethyl-
External chemical identifiers:
CID:13885
,
ChEBI:167409
Chemical structure information
SMILES:
CC1CC2CCCCC2CC1C
InChI:
InChI=1S/C12H22/c1-9-7-11-5-3-4-6-12(11)8-10(9)2/h9-12H,3-8H2,1-2H3
InChIKey:
UBGLIVPMNDOOTE-UHFFFAOYSA-N
DeepSMILES:
CCCCCCCCC6CC%10C
Molecular scaffolds
Scaffold Graph/Node/Bond level:
C1CCC2CCCCC2C1
Scaffold Graph/Node level:
C1CCC2CCCCC2C1
Scaffold Graph level:
C1CCC2CCCCC2C1
Chemical classification
ClassyFire Kingdom:
Organic compounds
ClassyFire Superclass:
Hydrocarbons
ClassyFire Class:
Polycyclic hydrocarbons
NP-Likeness score:
0.806
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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