General Information of the Compound
| Compound ID |
CP0569068
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| Compound Name |
methyl (2S,4aR,6aR,7R,9S,10aS,10bR)-2-(furan-3-yl)-9-[4-(hydroxymethyl)benzoyl]oxy-6a,10b-dimethyl-4,10-dioxo-2,4a,5,6,7,8,9,10a-octahydro-1H-benzo[f]isochromene-7-carboxylate
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| Structure |
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| Formula |
C29H32O9
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| Molecular Weight |
524.566
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| Canonical SMILES |
COC(=O)[C@@H]1C[C@H](OC(=O)c2ccc(CO)cc2)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
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| InChI |
InChI=1S/C29H32O9/c1-28-10-8-19-27(34)38-22(18-9-11-36-15-18)13-29(19,2)24(28)23(31)21(12-20(28)26(33)35-3)37-25(32)17-6-4-16(14-30)5-7-17/h4-7,9,11,15,19-22,24,30H,8,10,12-14H2,1-3H3/t19-,20-,21-,22-,24-,28-,29-/m0/s1
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| InChIKey |
GAFSLIGIDICZRF-UTFYOTOKSA-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