IMPPAT: Indian Medicinal Plants, Phytochemistry And Therapeutics
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IMPPAT Phytochemical information:
1-Decen-3-ol
Summary
Physicochemical
Drug-likeness
ADMET
Descriptors
Summary
IMPPAT Phytochemical identifier:
IMPHY015599
Phytochemical name:
1-Decen-3-ol
Synonymous chemical names:
dec-1-en-3-ol
External chemical identifiers:
CID:170977
,
FDASRS:VO05FOL7H0
,
SureChEMBL:SCHEMBL184105
Chemical structure information
SMILES:
CCCCCCCC(C=C)O
InChI:
InChI=1S/C10H20O/c1-3-5-6-7-8-9-10(11)4-2/h4,10-11H,2-3,5-9H2,1H3
InChIKey:
NSFWLHKFTGZFBP-UHFFFAOYSA-N
DeepSMILES:
CCCCCCCCC=C))O
Functional groups:
C=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:
1.799
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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