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ScientificNameLabel
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More Details :
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| Names & Synonyms: |
2,4,8-trihydroxy-1-methoxy-6-methyl-anthracene-9,10-dione , 2,4,8-trihydroxy-1-methoxy-6-methylanthracene-9,10-dione , 1-methoxy-6-methyl-2,4,8-tris(oxidanyl)anthracene-9,10-dione , 2,4,8-trihydroxy-1-methoxy-6-methyl-9,10-anthraquinone
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| Smiles: |
COc1c(O)cc(c2c1C(=O)c1c(O)cc(cc1C2=O)C)O
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| InChi : |
InChI=1S/C16H12O6/c1-6-3-7-11(8(17)4-6)15(21)13-12(14(7)20)9(18)5-10(19)16(13)22-2/h3-5,17-19H,1-2H3
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| InChi Key : |
InChIKey=JHLHKVHPDKGPGG-UHFFFAOYSA-N
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| PubChem ID : |
102507261
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| Rotatable bond count : |
1
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Rule of five : |
0
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| Hydrogen bond acceptor count : |
6
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Ionization potential : |
9.283141
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| Hydrogen bond donor count : |
3
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Electric dipole moment : |
1.212
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| XLogP : |
0.757
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VDW volume : |
258.072527
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| Molecular weight : |
300.063388
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HOMO-LUMO gap : |
7.548000
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| Herb list : |
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| Refrences & Litretures: |
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