General Information of the Compound
| Compound ID |
CP0515409
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| Compound Name |
(3S,4aR,4bR,5R,6S,8aR,10aR)-5,6-Diacetoxy-3-furan-3-yl-4a,8a-dimethyl-1-oxo-3,4,4a,4b,5,6,8a,9,10,10a-decahydro-1H-2-oxa-phenanthrene-8-carboxylic acid methyl ester
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| Structure |
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| Formula |
C25H30O9
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| Molecular Weight |
474.506
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| Canonical SMILES |
COC(=O)C1=C[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]2[C@@]3(C)C[C@H](OC(=O)[C@@H]3CC[C@@]12C)c1ccoc1
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| InChI |
InChI=1S/C25H30O9/c1-13(26)32-18-10-17(22(28)30-5)24(3)8-6-16-23(29)34-19(15-7-9-31-12-15)11-25(16,4)21(24)20(18)33-14(2)27/h7,9-10,12,16,18-21H,6,8,11H2,1-5H3/t16-,18-,19-,20-,21-,24-,25-/m0/s1
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| InChIKey |
FQPFAKLWYQMQER-DZQZDKHXSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound