IMPPAT: Indian Medicinal Plants, Phytochemistry And Therapeutics
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IMPPAT Phytochemical information:
Dec-4-ene-1,9-diol
Summary
Physicochemical
Drug-likeness
ADMET
Descriptors
Summary
IMPPAT Phytochemical identifier:
IMPHY017704
Phytochemical name:
Dec-4-ene-1,9-diol
Synonymous chemical names:
4-decene-1,9-diol
External chemical identifiers:
CID:71395781
Chemical structure information
SMILES:
OCCCC=CCCCC(O)C
InChI:
InChI=1S/C10H20O2/c1-10(12)8-6-4-2-3-5-7-9-11/h2-3,10-12H,4-9H2,1H3
InChIKey:
QLOVANJYSPBUGN-UHFFFAOYSA-N
DeepSMILES:
OCCCC=CCCCCO)C
Functional groups:
CC=CC, CO
Chemical classification
ClassyFire Kingdom:
Organic compounds
ClassyFire Superclass:
Lipids and lipid-like molecules
ClassyFire Class:
Fatty acyls
ClassyFire Subclass:
Fatty alcohols
NP Classifier Biosynthetic pathway:
Fatty acids
NP Classifier Superclass:
Fatty acyls
NP Classifier Class:
Fatty alcohols
NP-Likeness score:
2.039
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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