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ScientificNameLabel
Nepetin
PHCD compound ID : 5593
Chemical Names :
Nepetin
Molecular Formula : C16H12O7
Molecular Weight : 316.058303
More Details :
Names & Synonyms: 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-methoxy-chromen-4-one , 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-methoxy-1-benzopyran-4-one , 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-methoxychromen-4-one , 2-[3,4-bis(oxidanyl)phenyl]-6-methoxy-5,7-bis(oxidanyl)chromen-4-one , 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-methoxy-chromone
Smiles: COc1c(O)cc2c(c1O)c(=O)cc(o2)c1ccc(c(c1)O)O
InChi : InChI=1S/C16H12O7/c1-22-16-11(20)6-13-14(15(16)21)10(19)5-12(23-13)7-2-3-8(17)9(18)4-7/h2-6,17-18,20-21H,1H3
InChi Key : InChIKey=FHHSEFRSDKWJKJ-UHFFFAOYSA-N
PubChem ID : 5317284
Rotatable bond count : 2 Rule of five : 0
Hydrogen bond acceptor count : 7 Ionization potential : 9.179059
Hydrogen bond donor count : 4 Electric dipole moment : 4.054
XLogP : 1.726 VDW volume : 266.862754
Molecular weight : 316.058303 HOMO-LUMO gap : 8.009000
Herb list :
Refrences & Litretures:
  
947.      Journal:'Plants'      Year:'2019'      Volume:'8'      Page:'40'      DOI:'10.3390/plants8020040'      Title:'Traditional Medicine Plant, Onopordum acanthium L. (Asteraceae): Chemical Composition and Pharmacological Research'
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