IMPPAT: Indian Medicinal Plants, Phytochemistry And Therapeutics
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IMPPAT Phytochemical information:
o-Menth-8-ene
Summary
Physicochemical
Drug-likeness
ADMET
Descriptors
Summary
IMPPAT Phytochemical identifier:
IMPHY012582
Phytochemical name:
o-Menth-8-ene
Synonymous chemical names:
o-menth-8-ene
External chemical identifiers:
CID:519074
,
SureChEMBL:SCHEMBL16499603
Chemical structure information
SMILES:
CC(=C)C1CCCCC1C
InChI:
InChI=1S/C10H18/c1-8(2)10-7-5-4-6-9(10)3/h9-10H,1,4-7H2,2-3H3
InChIKey:
FILMMSADAAQBJS-UHFFFAOYSA-N
DeepSMILES:
CC=C)CCCCCC6C
Functional groups:
C=C(C)C
Molecular scaffolds
Scaffold Graph/Node/Bond level:
C1CCCCC1
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-Likeness score:
1.184
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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