General Information of the Compound
| Compound ID |
CP0409125
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| Compound Name |
methyl (1S,2R,6S,8S,11S,12S,15S,16S)-15-acetyloxy-2,16-dimethyl-5-oxo-7-oxapentacyclo[9.7.0.02,8.06,8.012,16]octadecane-4-carboxylate
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| Structure |
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| Formula |
C23H32O6
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| Molecular Weight |
404.503
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| Canonical SMILES |
COC(=O)C1C[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC[C@]22O[C@@H]2C1=O)OC(C)=O
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| InChI |
InChI=1S/C23H32O6/c1-12(24)28-17-6-5-15-13-7-10-23-19(29-23)18(25)14(20(26)27-4)11-22(23,3)16(13)8-9-21(15,17)2/h13-17,19H,5-11H2,1-4H3/t13-,14?,15-,16-,17-,19+,21-,22+,23+/m0/s1
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| InChIKey |
IXMXQELLDDERMO-KOHTVSBESA-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