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ScientificNameLabel
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More Details :
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| Names & Synonyms: |
1-hydroxy-2-isopropyl-3,6,7,8-tetramethoxy-anthracene-9,10-dione , 1-hydroxy-3,6,7,8-tetramethoxy-2-propan-2-ylanthracene-9,10-dione , 1,2,3,6-tetramethoxy-8-oxidanyl-7-propan-2-yl-anthracene-9,10-dione , 1-hydroxy-2-isopropyl-3,6,7,8-tetramethoxy-9,10-anthraquinone
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| Smiles: |
COc1cc2C(=O)c3cc(OC)c(c(c3C(=O)c2c(c1C(C)C)O)OC)OC
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| InChi : |
InChI=1S/C21H22O7/c1-9(2)14-12(25-3)7-10-15(18(14)23)19(24)16-11(17(10)22)8-13(26-4)20(27-5)21(16)28-6/h7-9,23H,1-6H3
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| InChi Key : |
InChIKey=OIFREOFWPSVYCS-UHFFFAOYSA-N
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| PubChem ID : |
102507260
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| Rotatable bond count : |
5
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Rule of five : |
0
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| Hydrogen bond acceptor count : |
7
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Ionization potential : |
9.224117
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| Hydrogen bond donor count : |
1
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Electric dipole moment : |
2.848
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| XLogP : |
2.396
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VDW volume : |
353.342677
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| Molecular weight : |
386.136553
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HOMO-LUMO gap : |
7.774000
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| Herb list : |
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| Refrences & Litretures: |
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