IMPPAT: Indian Medicinal Plants, Phytochemistry And Therapeutics
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IMPPAT Phytochemical information:
7-Methyl-3-methylene-6-octen-1-ol
Summary
Physicochemical
Drug-likeness
ADMET
Descriptors
Summary
IMPPAT Phytochemical identifier:
IMPHY017297
Phytochemical name:
7-Methyl-3-methylene-6-octen-1-ol
Synonymous chemical names:
γ-geraniol
External chemical identifiers:
CID:518689
,
SureChEMBL:SCHEMBL11295324
Chemical structure information
SMILES:
OCCC(=C)CCC=C(C)C
InChI:
InChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,11H,3-4,6-8H2,1-2H3
InChIKey:
LPYYZHAEKPCIHA-UHFFFAOYSA-N
DeepSMILES:
OCCC=C)CCC=CC)C
Functional groups:
C=C(C)C, CC=C(C)C, CO
Chemical classification
ClassyFire Kingdom:
Organic compounds
ClassyFire Superclass:
Lipids and lipid-like molecules
ClassyFire Class:
Prenol lipids
ClassyFire Subclass:
Monoterpenoids
NP Classifier Biosynthetic pathway:
Terpenoids
NP Classifier Superclass:
Monoterpenoids
NP Classifier Class:
Acyclic monoterpenoids
NP-Likeness score:
2.608
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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