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ScientificNameLabel
mollugin
PHCD compound ID : 2857
Chemical Names :
mollugin
Molecular Formula : C17H16O4
Molecular Weight : 284.104859
More Details :
Names & Synonyms: methyl 6-hydroxy-2,2-dimethyl-benzo[h]chromene-5-carboxylate , 6-hydroxy-2,2-dimethyl-5-benzo[h][1]benzopyrancarboxylic acid methyl ester , methyl 6-hydroxy-2,2-dimethylbenzo[h]chromene-5-carboxylate , methyl 2,2-dimethyl-6-oxidanyl-benzo[h]chromene-5-carboxylate , 6-hydroxy-2,2-dimethyl-benzo[h]chromene-5-carboxylic acid methyl ester
Smiles: COC(=O)c1c2C=CC(Oc2c2c(c1O)cccc2)(C)C
InChi : InChI=1S/C17H16O4/c1-17(2)9-8-12-13(16(19)20-3)14(18)10-6-4-5-7-11(10)15(12)21-17/h4-9,18H,1-3H3
InChi Key : InChIKey=VLGATXOTCNBWIT-UHFFFAOYSA-N
PubChem ID : 124219
Rotatable bond count : 2 Rule of five : 0
Hydrogen bond acceptor count : 4 Ionization potential : 8.205034
Hydrogen bond donor count : 1 Electric dipole moment : 3.575
XLogP : 2.822 VDW volume : 260.424517
Molecular weight : 284.104859 HOMO-LUMO gap : 7.379000
Herb list :
Refrences & Litretures:
  
360.      Journal:'Int J Adv Biol Biom Res'      Year:'2013'      Volume:'1'      Page:'1315'      DOI:''      Title:'Rubia tinctorum L. (Rubiaceae) or Madder as one of the living color to dyeing wool'
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