General Information of the Compound
| Compound ID |
CP0860586
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| Compound Name |
(3S,4aR,4bS,5R,6S,8R,8aR,10aR)-5-Acetoxy-3-furan-3-yl-6-hydroxy-4a,8a-dimethyl-1-oxo-dodecahydro-2-oxa-phenanthrene-8-carboxylic acid methyl ester
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| Structure |
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| Formula |
C23H30O8
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| Molecular Weight |
434.485
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| Canonical SMILES |
COC(=O)[C@@H]1C[C@H](OC(C)=O)[C@H](O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@]21C
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| InChI |
InChI=1S/C23H30O8/c1-12(24)30-16-9-15(20(26)28-4)22(2)7-5-14-21(27)31-17(13-6-8-29-11-13)10-23(14,3)19(22)18(16)25/h6,8,11,14-19,25H,5,7,9-10H2,1-4H3/t14-,15-,16-,17-,18-,19-,22-,23-/m0/s1
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| InChIKey |
YHFLKSRDBKJFAZ-OENGMGLDSA-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