IMPPAT: Indian Medicinal Plants, Phytochemistry And Therapeutics
a curated database
HOME
BROWSE
BASIC SEARCH
ADVANCED SEARCH
STATISTICS
ACKNOWLEDGEMENT
HELP
IMPPAT Phytochemical information:
p-Mentha-1(7),5-dien-2-ol
Summary
Physicochemical
Drug-likeness
ADMET
Descriptors
Summary
IMPPAT Phytochemical identifier:
IMPHY015899
Phytochemical name:
p-Mentha-1(7),5-dien-2-ol
Synonymous chemical names:
p-mentha-1(7),5-dien-2-ol
External chemical identifiers:
CID:6429211
Chemical structure information
SMILES:
CC(C1=CCC(=C)[C@@H](C1)O)C
InChI:
InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)10(11)6-9/h5,7,10-11H,3-4,6H2,1-2H3/t10-/m1/s1
InChIKey:
DEBINAVASDQMMF-SNVBAGLBSA-N
DeepSMILES:
CCC=CCC=C)[C@@H]C6)O))))))C
Functional groups:
C=C(C)C, CC=C(C)C, CO
Molecular scaffolds
Scaffold Graph/Node/Bond level:
C=C1CC=CCC1
Scaffold Graph/Node level:
CC1CCCCC1
Scaffold Graph level:
CC1CCCCC1
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:
Monocyclic monoterpenoids
NP-Likeness score:
2.364
Chemical structure download
2D:
2D MOL
2D MOL2
2D SDF
3D:
3D MOL
3D MOL2
3D SDF
3D PDB
3D PDBQT
Top