General Information of the Compound
| Compound ID |
CP0558979
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| Compound Name |
[(1S,2R,4R,5R,6S,7R,8S,9R,12R)-5,12-diacetyloxy-4,8-dihydroxy-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,6]dodecan-7-yl] benzoate
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| Formula |
C26H34O9
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| Molecular Weight |
490.549
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| Canonical SMILES |
C[C@@H]1C[C@@H](O)[C@H](OC(C)=O)[C@@]2(C)[C@@H](OC(=O)c3ccccc3)[C@@H](O)[C@@H]3[C@@H](OC(C)=O)[C@]12OC3(C)C
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| InChI |
InChI=1S/C26H34O9/c1-13-12-17(29)20(32-14(2)27)25(6)22(34-23(31)16-10-8-7-9-11-16)19(30)18-21(33-15(3)28)26(13,25)35-24(18,4)5/h7-11,13,17-22,29-30H,12H2,1-6H3/t13-,17-,18-,19+,20+,21-,22+,25+,26-/m1/s1
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| InChIKey |
OADHMRCSACTLFY-RDBQYKJNSA-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