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ScientificNameLabel
2-(2,5-dihydroxy-4-methylcyclohex-3-enyl)propanoic acid
PHCD compound ID : 2935
Chemical Names :
2-(2,5-dihydroxy-4-methylcyclohex-3-enyl)propanoic acid
Molecular Formula : C10H16O4
Molecular Weight : 200.104859
More Details :
Names & Synonyms: 2-(2,5-dihydroxy-4-methyl-cyclohex-3-en-1-yl)propanoic acid , 2-(2,5-dihydroxy-4-methyl-1-cyclohex-3-enyl)propanoic acid , 2-(2,5-dihydroxy-4-methylcyclohex-3-en-1-yl)propanoic acid , 2-[4-methyl-2,5-bis(oxidanyl)cyclohex-3-en-1-yl]propanoic acid , 2-(2,5-dihydroxy-4-methyl-cyclohex-3-en-1-yl)propionic acid
Smiles: OC(=O)[C@@H]([C@@H]1C[C@@H](O)C(=C[C@@H]1O)C)C
InChi : InChI=1S/C10H16O4/c1-5-3-9(12)7(4-8(5)11)6(2)10(13)14/h3,6-9,11-12H,4H2,1-2H3,(H,13,14)/t6-,7+,8-,9+/m1/s1
InChi Key : InChIKey=JZIKQULBAUNVHF-XAVMHZPKSA-N
PubChem ID : 91451640
Rotatable bond count : 2 Rule of five : 0
Hydrogen bond acceptor count : 4 Ionization potential : 10.223526
Hydrogen bond donor count : 3 Electric dipole moment : 1.512
XLogP : -0.338 VDW volume : 199.047836
Molecular weight : 200.104859 HOMO-LUMO gap : 10.579000
Herb list :
Refrences & Litretures:
  
371.      Journal:'Pharmaceutical Crops'      Year:'2011'      Volume:'2'      Page:'28'      DOI:''      Title:'Chemical composition and product quality control of turmeric (Curcuma longa L.)'
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