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ScientificNameLabel
Vidalenolone
PHCD compound ID : 3282
Chemical Names :
Vidalenolone
Molecular Formula : C13H14O4
Molecular Weight : 234.089209
More Details :
Names & Synonyms: 2-hydroxy-5-[(4-hydroxyphenyl)methyl]-5-methoxy-cyclopent-2-en-1-one , 2-hydroxy-5-[(4-hydroxyphenyl)methyl]-5-methoxy-1-cyclopent-2-enone , 2-hydroxy-5-[(4-hydroxyphenyl)methyl]-5-methoxycyclopent-2-en-1-one , 5-[(4-hydroxyphenyl)methyl]-5-methoxy-2-oxidanyl-cyclopent-2-en-1-one , 2-hydroxy-5-(4-hydroxybenzyl)-5-methoxy-cyclopent-2-en-1-one
Smiles: CO[C@@]1(CC=C(C1=O)O)Cc1ccc(cc1)O
InChi : InChI=1S/C13H14O4/c1-17-13(7-6-11(15)12(13)16)8-9-2-4-10(14)5-3-9/h2-6,14-15H,7-8H2,1H3/t13-/m0/s1
InChi Key : InChIKey=UJDWQMHSONZRPQ-ZDUSSCGKSA-N
PubChem ID : 10857367
Rotatable bond count : 3 Rule of five : 0
Hydrogen bond acceptor count : 4 Ionization potential : 9.081544
Hydrogen bond donor count : 2 Electric dipole moment : 3.292
XLogP : 0.563 VDW volume : 219.769955
Molecular weight : 234.089209 HOMO-LUMO gap : 8.870000
Herb list :
Refrences & Litretures:
  
446.      Journal:'American Journal of Analytical Chemistry'      Year:'2011'      Volume:'2'      Page:'871'      DOI:'10.4236/ajac.2011.28100'      Title:'Extraction, Identification and Antioxidative Properties of the Flavonoid-Rich Fractions from Leaves and Flowers of Cassia angustifolia'
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