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ScientificNameLabel
kuwanon U
PHCD compound ID : 3460
Chemical Names :
kuwanon U
Molecular Formula : C26H30O6
Molecular Weight : 438.204239
More Details :
Names & Synonyms: (2S)-2-[5-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-hydroxy-4-methoxy-phenyl]-5,7-dihydroxy-chroman-4-one , (2S)-2-[5-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-hydroxy-4-methoxyphenyl]-5,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-4-one , (2S)-2-[5-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-hydroxy-4-methoxyphenyl]-5,7-dihydroxy-2,3-dihydrochromen-4-one , (2S)-2-[5-[(2E)-3,7-dimethylocta-2,6-dienyl]-4-methoxy-2-oxidanyl-phenyl]-5,7-bis(oxidanyl)-2,3-dihydrochromen-4-one
Smiles: COc1cc(O)c(cc1C/C=C(/CCC=C(C)C)\C)[C@@H]1CC(=O)c2c(O1)cc(cc2O)O
InChi : InChI=1S/C26H30O6/c1-15(2)6-5-7-16(3)8-9-17-10-19(20(28)13-23(17)31-4)24-14-22(30)26-21(29)11-18(27)12-25(26)32-24/h6,8,10-13,24,27-29H,5,7,9,14H2,1-4H3/b16-8+/t24-/m0/s1
InChi Key : InChIKey=CZVSHXUUSIQWSO-CECMFTGFSA-N
PubChem ID : 46209782
Rotatable bond count : 7 Rule of five : 0
Hydrogen bond acceptor count : 6 Ionization potential : 8.841768
Hydrogen bond donor count : 3 Electric dipole moment : 4.539
XLogP : 4.475 VDW volume : 428.395915
Molecular weight : 438.204239 HOMO-LUMO gap : 8.401000
Herb list :
Refrences & Litretures:
  
482.      Journal:'J. Agric. Food Chem'      Year:'2010'      Volume:'58'      Page:'5368'      DOI:'10.1021/jf1003607'      Title:'Tyrosinase Inhibitory Constituents from the Roots of Morus nigra: A Structure-Activity Relationship Study'
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