IMPPAT: Indian Medicinal Plants, Phytochemistry And Therapeutics
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IMPPAT Phytochemical information:
7-Methyl-6-tridecene
Summary
Physicochemical
Drug-likeness
ADMET
Descriptors
Summary
IMPPAT Phytochemical identifier:
IMPHY012822
Phytochemical name:
7-Methyl-6-tridecene
Synonymous chemical names:
7-methyl-6-tridecene
External chemical identifiers:
CID:5364660
Chemical structure information
SMILES:
CCCCCC/C(=C/CCCCC)/C
InChI:
InChI=1S/C14H28/c1-4-6-8-10-12-14(3)13-11-9-7-5-2/h12H,4-11,13H2,1-3H3/b14-12+
InChIKey:
OWBREJMGOOUEDR-WYMLVPIESA-N
DeepSMILES:
CCCCCC/C=C/CCCCC))))))/C
Functional groups:
C/C=C(/C)C
Chemical classification
ClassyFire Kingdom:
Organic compounds
ClassyFire Superclass:
Hydrocarbons
ClassyFire Class:
Unsaturated hydrocarbons
ClassyFire Subclass:
Branched unsaturated hydrocarbons
NP Classifier Biosynthetic pathway:
Fatty acids
NP Classifier Superclass:
Fatty acyls
NP Classifier Class:
Hydrocarbons
NP-Likeness score:
1.675
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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