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Secondary metabolite: 1 -Methyl-4-( 1 -methylethenyl) -cyclohexene(limonene)
Summary
Physicochemical properties
Drug-likeness properties
ADMET properties
Descriptors
Predicted human target proteins
Summary
Molecular formula:
C10H16
SMILES:
CC1=CC[C@@H](CC1)C(=C)C
InChI:
InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3/t10-/m0/s1
InChIKey:
XMGQYMWWDOXHJM-JTQLQIEISA-N
Molecular scaffolds
Scaffold Graph/Node/Bond level:
C1=CCCCC1
Scaffold Graph/Node level:
C1CCCCC1
Scaffold Graph level:
C1CCCCC1
Chemical classification
Kingdom:
Organic compounds
Super class:
Lipids and lipid-like molecules
Class:
Prenol lipids
Sub class:
Monoterpenoids
Synonymous chemical names:
1 -methyl-4-( 1 -methylethenyl) -cyclohexene(limonene)
External chemical identifiers:
CID_440917
;
CAS_5989-27-5
;
CHEMSPIDER_388386
;
ZINC_ZINC000000967513
;
Molport_MolPort-002-507-206
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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