IMPPAT: Indian Medicinal Plants, Phytochemistry And Therapeutics
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IMPPAT Phytochemical information:
2-Methyl-1-tetradecene
Summary
Physicochemical
Drug-likeness
ADMET
Descriptors
Summary
IMPPAT Phytochemical identifier:
IMPHY017317
Phytochemical name:
2-Methyl-1-tetradecene
Synonymous chemical names:
2-methyltetradecene
External chemical identifiers:
CID:521375
,
ZINC:ZINC000002564152
,
SureChEMBL:SCHEMBL2845989
Chemical structure information
SMILES:
CCCCCCCCCCCCC(=C)C
InChI:
InChI=1S/C15H30/c1-4-5-6-7-8-9-10-11-12-13-14-15(2)3/h2,4-14H2,1,3H3
InChIKey:
WSNMNSLVXDWAFZ-UHFFFAOYSA-N
DeepSMILES:
CCCCCCCCCCCCC=C)C
Functional groups:
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:
0.627
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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