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ScientificNameLabel
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More Details :
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| Names & Synonyms: |
1,7-bis(4-hydroxy-3-methoxy-phenyl)hepta-1,4,6-trien-3-one , 1,7-bis(4-hydroxy-3-methoxyphenyl)-3-hepta-1,4,6-trienone , 1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,4,6-trien-3-one , 1,7-bis(3-methoxy-4-oxidanyl-phenyl)hepta-1,4,6-trien-3-one
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| Smiles: |
COc1cc(/C=C/C=C/C(=O)/C=C/c2ccc(c(c2)OC)O)ccc1O
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| InChi : |
InChI=1S/C21H20O5/c1-25-20-13-15(8-11-18(20)23)5-3-4-6-17(22)10-7-16-9-12-19(24)21(14-16)26-2/h3-14,23-24H,1-2H3/b5-3+,6-4+,10-7+
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| InChi Key : |
InChIKey=JUDCTVXWYFNGQQ-FQXJPFFWSA-N
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| PubChem ID : |
85309552
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| Rotatable bond count : |
7
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Rule of five : |
0
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| Hydrogen bond acceptor count : |
5
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Ionization potential : |
8.612269
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| Hydrogen bond donor count : |
2
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Electric dipole moment : |
1.744
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| XLogP : |
2.556
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VDW volume : |
342.845765
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| Molecular weight : |
352.131074
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HOMO-LUMO gap : |
7.575000
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| Herb list : |
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| Refrences & Litretures: |
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