IMPPAT: Indian Medicinal Plants, Phytochemistry And Therapeutics
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IMPPAT Phytochemical information:
1,15-Hexadecadiene
Summary
Physicochemical
Drug-likeness
ADMET
Descriptors
Summary
IMPPAT Phytochemical identifier:
IMPHY016161
Phytochemical name:
1,15-Hexadecadiene
Synonymous chemical names:
1,15 hexadecadiene
External chemical identifiers:
CID:519908
,
ZINC:ZINC000057988929
,
SureChEMBL:SCHEMBL1805539
Chemical structure information
SMILES:
C=CCCCCCCCCCCCCC=C
InChI:
InChI=1S/C16H30/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-4H,1-2,5-16H2
InChIKey:
JEJVUMPKJVMOEZ-UHFFFAOYSA-N
DeepSMILES:
C=CCCCCCCCCCCCCC=C
Functional groups:
C=CC
Chemical classification
ClassyFire Kingdom:
Organic compounds
ClassyFire Superclass:
Hydrocarbons
ClassyFire Class:
Unsaturated hydrocarbons
ClassyFire Subclass:
Olefins
NP Classifier Biosynthetic pathway:
Fatty acids
NP Classifier Superclass:
Fatty acyls
NP Classifier Class:
Hydrocarbons
NP-Likeness score:
0.553
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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