Alpha-cuparene

ScientificNameLabel

Alpha-cuparene
PHCD compound ID :	689
Chemical Names :	Alpha-cuparene
Molecular Formula :	C15H22
Molecular Weight :	202.172151

More Details :

Names & Synonyms:	1-methyl-4-[(1S)-1,2,2-trimethylcyclopentyl]benzene
Smiles:	Cc1ccc(cc1)[C@@]1(C)CCCC1(C)C
InChi :	InChI=1S/C15H22/c1-12-6-8-13(9-7-12)15(4)11-5-10-14(15,2)3/h6-9H,5,10-11H2,1-4H3/t15-/m1/s1
InChi Key :	InChIKey=SLKPBCXNFNIJSV-OAHLLOKOSA-N
PubChem ID :	11084908

Rotatable bond count :	1	Rule of five :	1
Hydrogen bond acceptor count :	0	Ionization potential :	9.003838
Hydrogen bond donor count :	0	Electric dipole moment :	0.208
XLogP :	6.158	VDW volume :	224.473935
Molecular weight :	202.172151	HOMO-LUMO gap :	9.470000

Herb list :

Anise - Pimpinella anisum - انيسون

Refrences & Litretures:


42. Journal:'Annals of Microbiology' Year:'2006' Volume:'56' Page:'353' DOI:'' Title:'Chemical composition and antifungal effect of anise (Pimpinella anisum L.) fruit oil at ripening stage'

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