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IMPPAT Phytochemical information:
(R)-m-Menth-1(6)-en-8-ol
Summary
Physicochemical
Drug-likeness
ADMET
Descriptors
Summary
IMPPAT Phytochemical identifier:
IMPHY009471
Phytochemical name:
(R)-m-Menth-1(6)-en-8-ol
Synonymous chemical names:
(r)-m-menth-1(6)-en-8-ol
External chemical identifiers:
CID:12850245
,
SureChEMBL:SCHEMBL10996248
Chemical structure information
SMILES:
CC1=CCCC(C1)C(O)(C)C
InChI:
InChI=1S/C10H18O/c1-8-5-4-6-9(7-8)10(2,3)11/h5,9,11H,4,6-7H2,1-3H3
InChIKey:
KIFOHQUNUIDIGN-UHFFFAOYSA-N
DeepSMILES:
CC=CCCCC6)CO)C)C
Functional groups:
CC=C(C)C, CO
Molecular scaffolds
Scaffold Graph/Node/Bond level:
C1=CCCCC1
Scaffold Graph/Node level:
C1CCCCC1
Scaffold Graph level:
C1CCCCC1
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:
Menthane monoterpenoids, Monocyclic monoterpenoids
NP-Likeness score:
2.357
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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