General Information of the Compound
| Compound ID |
CP0446645
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| Compound Name |
methyl (3S,4aS,5S,6S,8aR)-6-[(2R)-4-acetyloxy-1-methoxy-1-oxobutan-2-yl]-3-(furan-3-yl)-4a,6-dimethyl-1-oxo-3,4,5,7,8,8a-hexahydroisochromene-5-carboxylate
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| Structure |
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| Formula |
C24H32O9
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| Molecular Weight |
464.511
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| Canonical SMILES |
COC(=O)[C@H](CCOC(C)=O)[C@]1(C)CC[C@H]2C(=O)O[C@@H](C[C@]2(C)[C@H]1C(=O)OC)c1ccoc1
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| InChI |
InChI=1S/C24H32O9/c1-14(25)32-11-8-17(20(26)29-4)23(2)9-6-16-21(27)33-18(15-7-10-31-13-15)12-24(16,3)19(23)22(28)30-5/h7,10,13,16-19H,6,8-9,11-12H2,1-5H3/t16-,17-,18-,19-,23-,24-/m0/s1
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| InChIKey |
ZUNDGGWPEYCOHU-JVFZSLGPSA-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