IMPPAT: Indian Medicinal Plants, Phytochemistry And Therapeutics
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IMPPAT Phytochemical information:
7-Tetradecenal
Summary
Physicochemical
Drug-likeness
ADMET
Descriptors
Summary
IMPPAT Phytochemical identifier:
IMPHY015446
Phytochemical name:
7-Tetradecenal
Synonymous chemical names:
(e)-7-tetradecenal, 7-tetradecenal
External chemical identifiers:
CID:5283367
,
ZINC:ZINC000043061664
,
FDASRS:51MY5W0G5C
,
SureChEMBL:SCHEMBL336627
Chemical structure information
SMILES:
CCCCCC/C=C/CCCCCC=O
InChI:
InChI=1S/C14H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h7-8,14H,2-6,9-13H2,1H3/b8-7+
InChIKey:
AVHNDAZRNRAYTP-BQYQJAHWSA-N
DeepSMILES:
CCCCCC/C=C/CCCCCC=O
Functional groups:
C/C=C/C, CC=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:
1.323
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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