IMPPAT: Indian Medicinal Plants, Phytochemistry And Therapeutics
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IMPPAT Phytochemical information:
3-Methyldec-4-en-1-ol
Summary
Physicochemical
Drug-likeness
ADMET
Descriptors
Summary
IMPPAT Phytochemical identifier:
IMPHY015600
Phytochemical name:
3-Methyldec-4-en-1-ol
Synonymous chemical names:
dec-4-en-1-ol 3-methyl
External chemical identifiers:
CID:6428572
Chemical structure information
SMILES:
CCCCC/C=C/C(CCO)C
InChI:
InChI=1S/C11H22O/c1-3-4-5-6-7-8-11(2)9-10-12/h7-8,11-12H,3-6,9-10H2,1-2H3/b8-7+
InChIKey:
JDCKKTBNCHNHRR-BQYQJAHWSA-N
DeepSMILES:
CCCCC/C=C/CCCO)))C
Functional groups:
C/C=C/C, 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:
2.385
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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