IMPPAT: Indian Medicinal Plants, Phytochemistry And Therapeutics
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IMPPAT Phytochemical information:
Tetrahydrofarnesol
Summary
Physicochemical
Drug-likeness
ADMET
Descriptors
Summary
IMPPAT Phytochemical identifier:
IMPHY016863
Phytochemical name:
Tetrahydrofarnesol
Synonymous chemical names:
tetrahydrofarnesol
External chemical identifiers:
CID:57458835
Chemical structure information
SMILES:
OCCC(CCCC(CCC=C(C)C)C)C
InChI:
InChI=1S/C15H30O/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h7,14-16H,5-6,8-12H2,1-4H3
InChIKey:
PUAVONBMQYQXMT-UHFFFAOYSA-N
DeepSMILES:
OCCCCCCCCCC=CC)C)))))C)))))C
Functional groups:
CC=C(C)C, CO
Chemical classification
ClassyFire Kingdom:
Organic compounds
ClassyFire Superclass:
Lipids and lipid-like molecules
ClassyFire Class:
Prenol lipids
ClassyFire Subclass:
Sesquiterpenoids
NP Classifier Biosynthetic pathway:
Terpenoids
NP Classifier Superclass:
Monoterpenoids
NP Classifier Class:
Acyclic monoterpenoids
NP-Likeness score:
1.934
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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