IMPPAT: Indian Medicinal Plants, Phytochemistry And Therapeutics
a curated database
HOME
BROWSE
BASIC SEARCH
ADVANCED SEARCH
STATISTICS
ACKNOWLEDGEMENT
HELP
IMPPAT Phytochemical information:
(7z,10z)-Hexadecadienal
Summary
Physicochemical
Drug-likeness
ADMET
Descriptors
Summary
IMPPAT Phytochemical identifier:
IMPHY017046
Phytochemical name:
(7z,10z)-Hexadecadienal
Synonymous chemical names:
(z,z)-hexadeca-7,10-dienal
External chemical identifiers:
CID:129691162
Chemical structure information
SMILES:
CCCCCCCCCCC/C=CC=C/C=O
InChI:
InChI=1S/C16H28O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h12-16H,2-11H2,1H3/b13-12-,15-14-
InChIKey:
UBSCLHIMTAASFS-ZJQKOVPWSA-N
DeepSMILES:
CCCCCCCCCCC/C=CC=C/C=O
Functional groups:
C/C=CC=C/C=O
Chemical classification
ClassyFire Kingdom:
Organic compounds
ClassyFire Superclass:
Lipids and lipid-like molecules
ClassyFire Class:
Fatty acyls
ClassyFire Subclass:
Fatty aldehydes
NP Classifier Biosynthetic pathway:
Fatty acids
NP Classifier Superclass:
Fatty acyls
NP Classifier Class:
Fatty aldehydes
NP-Likeness score:
1.569
Chemical structure download
2D:
2D MOL
2D MOL2
2D SDF
3D:
3D MOL
3D MOL2
3D SDF
3D PDB
3D PDBQT
Top