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ScientificNameLabel
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More Details :
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| Names & Synonyms: |
(1Z,6E)-1-(3,4-dihydroxyphenyl)-7-(4-hydroxy-3-methoxy-phenyl)hepta-1,6-diene-3,5-dione , (1Z,6E)-1-(3,4-dihydroxyphenyl)-7-(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione , (1Z,6E)-1-[3,4-bis(oxidanyl)phenyl]-7-(3-methoxy-4-oxidanyl-phenyl)hepta-1,6-diene-3,5-dione
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| Smiles: |
COc1cc(/C=C/C(=O)CC(=O)/C=C\c2ccc(c(c2)O)O)ccc1O
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| InChi : |
InChI=1S/C20H18O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)12-15(21)6-2-13-4-8-17(23)19(25)10-13/h2-11,23-25H,12H2,1H3/b6-2-,7-3+
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| InChi Key : |
InChIKey=FFRFJIZJLZXEJX-MFDSWNTHSA-N
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| PubChem ID : |
101382431
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| Rotatable bond count : |
7
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Rule of five : |
0
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| Hydrogen bond acceptor count : |
6
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Ionization potential : |
8.718876
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| Hydrogen bond donor count : |
3
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Electric dipole moment : |
1.216
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| XLogP : |
2.053
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VDW volume : |
334.340007
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| Molecular weight : |
354.110338
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HOMO-LUMO gap : |
7.912000
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| Herb list : |
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| Refrences & Litretures: |
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