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Compound: 5546
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References: 992
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Alpha-carene
ScientificNameLabel
Alpha-carene
PHCD compound ID :
3174
Chemical Names :
Alpha-carene
Molecular Formula :
C10H16
Molecular Weight :
136.125201
More Details :
Names & Synonyms:
(1S,6R)-4,7,7-trimethylbicyclo[4.1.0]hept-4-ene
Smiles:
CC1=C[C@@H]2[C@H](CC1)C2(C)C
InChi :
InChI=1S/C10H16/c1-7-4-5-8-9(6-7)10(8,2)3/h6,8-9H,4-5H2,1-3H3/t8-,9+/m0/s1
InChi Key :
InChIKey=IBVJWOMJGCHRRW-DTWKUNHWSA-N
PubChem ID :
6430755
Rotatable bond count :
0
Rule of five :
0
Hydrogen bond acceptor count :
0
Ionization potential :
9.009032
Hydrogen bond donor count :
0
Electric dipole moment :
0.648
XLogP :
4.177
VDW volume :
154.166929
Molecular weight :
136.125201
HOMO-LUMO gap :
10.313000
Herb list :
Bitter orange, Seville orange - Citrus aurantium - نارنج
Chio gum - Pistacia khinjuk - سقز، خنجک، خینجوک
Refrences & Litretures:
439. Journal:'World Journal of Zoology' Year:'2009' Volume:'4' Page:'291' DOI:'' Title:'The Anthelmintic Effect of Pistacia khinjuk Against Protoscoleces of Echinococcus granulosus'
833. Journal:'Journal of Chemical and Pharmaceutical Research' Year:'2015' Volume:'7' Page:'78' DOI:'' Title:'Chemical composition of Citrus aurantium L. leaves and zest essential oils, their antioxidant, antibacterial single and combined effects'
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