IMPPAT: Indian Medicinal Plants, Phytochemistry And Therapeutics
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IMPPAT Phytochemical information:
cis-p-Menth-2-en-ol
Summary
Physicochemical
Drug-likeness
ADMET
Descriptors
Summary
IMPPAT Phytochemical identifier:
IMPHY009758
Phytochemical name:
cis-p-Menth-2-en-ol
Synonymous chemical names:
cis-p-menth-2-en-ol, cis-p-menth-2-enol
External chemical identifiers:
CID:69228630
,
SureChEMBL:SCHEMBL4884579
Chemical structure information
SMILES:
C[C@H]1CC[C@H](C(=C1)O)C(C)C
InChI:
InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h6-9,11H,4-5H2,1-3H3/t8-,9-/m0/s1
InChIKey:
CCJSKHHLZKFPGH-IUCAKERBSA-N
DeepSMILES:
C[C@H]CC[C@H]C=C6)O))CC)C
Functional groups:
CC=C(C)O
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:
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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