IMPPAT: Indian Medicinal Plants, Phytochemistry And Therapeutics
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IMPPAT Phytochemical information:
7-Hexadecene
Summary
Physicochemical
Drug-likeness
ADMET
Descriptors
Summary
IMPPAT Phytochemical identifier:
IMPHY012814
Phytochemical name:
7-Hexadecene
Synonymous chemical names:
7-hexadecene
External chemical identifiers:
CID:5352264
,
FDASRS:F6QV85LZTW
,
SureChEMBL:SCHEMBL1000911
Chemical structure information
SMILES:
CCCCCCCC/C=C/CCCCCC
InChI:
InChI=1S/C16H32/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h13,15H,3-12,14,16H2,1-2H3/b15-13+
InChIKey:
JZPUSPPFVAJNGY-FYWRMAATSA-N
DeepSMILES:
CCCCCCCC/C=C/CCCCCC
Functional groups:
C/C=C/C
Chemical classification
ClassyFire Kingdom:
Organic compounds
ClassyFire Superclass:
Hydrocarbons
ClassyFire Class:
Unsaturated hydrocarbons
ClassyFire Subclass:
Unsaturated aliphatic hydrocarbons
NP Classifier Biosynthetic pathway:
Fatty acids
NP Classifier Superclass:
Fatty acyls
NP Classifier Class:
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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