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Secondary metabolite: Alpha-humulene
Summary
Physicochemical properties
Drug-likeness properties
ADMET properties
Descriptors
Summary
Molecular formula:
C15H24
SMILES:
C/C/1=CCC(C)(C)/C=C/C/C(=C/CC1)/C
InChI:
InChI=1S/C15H24/c1-13-7-5-8-14(2)10-12-15(3,4)11-6-9-13/h6-7,10-11H,5,8-9,12H2,1-4H3/b11-6+,13-7+,14-10+
InChIKey:
FAMPSKZZVDUYOS-HRGUGZIWSA-N
Molecular scaffolds
Scaffold Graph/Node/Bond level:
C1=CCCC=CCCC=CC1
Scaffold Graph/Node level:
C1CCCCCCCCCC1
Scaffold Graph level:
C1CCCCCCCCCC1
Chemical classification
Kingdom:
Organic compounds
Super class:
Lipids and lipid-like molecules
Class:
Prenol lipids
Sub class:
Sesquiterpenoids
Synonymous chemical names:
alpha-humulene
External chemical identifiers:
CID_5281520
;
CAS_6753-98-6
;
CHEMSPIDER_4444853
;
ZINC_ZINC000030726967
;
Molport_MolPort-003-936-163
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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