IMPPAT: Indian Medicinal Plants, Phytochemistry And Therapeutics
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IMPPAT Phytochemical information:
4-Methyl-3-heptanol
Summary
Physicochemical
Drug-likeness
ADMET
Descriptors
Summary
IMPPAT Phytochemical identifier:
IMPHY017247
Phytochemical name:
4-Methyl-3-heptanol
Synonymous chemical names:
4-methyl-3-heptanol
External chemical identifiers:
CID:26989
,
ChEMBL:CHEMBL3184526
,
FDASRS:L4RU749510
,
SureChEMBL:SCHEMBL276456
,
MolPort-003-958-753
Chemical structure information
SMILES:
CCCC(C(CC)O)C
InChI:
InChI=1S/C8H18O/c1-4-6-7(3)8(9)5-2/h7-9H,4-6H2,1-3H3
InChIKey:
BKQICAFAUMRYLZ-UHFFFAOYSA-N
DeepSMILES:
CCCCCCC))O))C
Functional groups:
CO
Chemical classification
ClassyFire Kingdom:
Organic compounds
ClassyFire Superclass:
Organic oxygen compounds
ClassyFire Class:
Organooxygen compounds
ClassyFire Subclass:
Alcohols and polyols
NP Classifier Biosynthetic pathway:
Fatty acids
NP Classifier Superclass:
Fatty acyls
NP Classifier Class:
Fatty alcohols
NP-Likeness score:
1.31
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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