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ScientificNameLabel
4-Acetyl-2-Carene
PHCD compound ID : 5198
Chemical Names :
4-Acetyl-2-Carene
Molecular Formula : C12H18O1
Molecular Weight : 178.135765
More Details :
Names & Synonyms: 1-(4,7,7-trimethyl-3-bicyclo[4.1.0]hept-4-enyl)ethanone
Smiles: CC(=O)[C@@H]1C[C@@H]2[C@H](C=C1C)C2(C)C
InChi : InChI=1S/C12H18O/c1-7-5-10-11(12(10,3)4)6-9(7)8(2)13/h5,9-11H,6H2,1-4H3/t9-,10+,11-/m1/s1
InChi Key : InChIKey=DXLORVVCLBWYCC-OUAUKWLOSA-N
PubChem ID : 44079
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.281544
Hydrogen bond donor count : 0 Electric dipole moment : 3.264
XLogP : 2.971 VDW volume : 194.912666
Molecular weight : 178.135765 HOMO-LUMO gap : 10.102000
Herb list :
Refrences & Litretures:
  
823.      Journal:'Asian J Pharm Clin Res'      Year:'2019'      Volume:'12'      Page:'124'      DOI:'10.22159/ajpcr.2019.v12i1.28418'      Title:'BIOACTIVITIES AND CHEMOPROFILING COMPARISONS OF CHENOPODIUM AMBROSIOIDES L. AND CHENOPODIUM BOTRYS L. GROWING IN KASHMIR, INDIA'
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