IMPPAT: Indian Medicinal Plants, Phytochemistry And Therapeutics
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IMPPAT Phytochemical information:
(4-Isopropyl-2-cyclohexen-1-yl)methanol, cis-
Summary
Physicochemical
Drug-likeness
ADMET
Descriptors
Summary
IMPPAT Phytochemical identifier:
IMPHY015569
Phytochemical name:
(4-Isopropyl-2-cyclohexen-1-yl)methanol, cis-
Synonymous chemical names:
cis-p-menth-2-en-7-ol
External chemical identifiers:
CID:13747942
Chemical structure information
SMILES:
OC[C@H]1CC[C@H](C=C1)C(C)C
InChI:
InChI=1S/C10H18O/c1-8(2)10-5-3-9(7-11)4-6-10/h3,5,8-11H,4,6-7H2,1-2H3/t9-,10+/m1/s1
InChIKey:
JWRJGMUBDGIGRT-ZJUUUORDSA-N
DeepSMILES:
OC[C@H]CC[C@H]C=C6))CC)C
Functional groups:
CC=CC, 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
NP-Likeness score:
2.844
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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