General Information of the Compound
| Compound ID |
CP0520415
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| Compound Name |
[(1R,2R,4S,5S,6R,7S,8R,9S,10S,11R,15S,16R,18S)-7-acetyloxy-5,6,9,18-tetrahydroxy-4,8,16-trimethyl-13-phenyl-18-prop-1-en-2-yl-12,14,17-trioxapentacyclo[11.3.1.111,15.01,10.02,6]octadecan-8-yl] benzoate
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| Structure |
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| Formula |
C36H42O11
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| Molecular Weight |
650.721
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| Canonical SMILES |
C[C@H]1C[C@@H]2[C@@](O)([C@H]1O)[C@H](OC(C)=O)[C@](C)(OC(=O)c1ccccc1)[C@@H](O)[C@H]1[C@H]3OC4(O[C@@H]([C@@H](C)[C@]21O4)[C@@]3(O)C(C)=C)c1ccccc1
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| InChI |
InChI=1S/C36H42O11/c1-18(2)33(41)28-20(4)35-24-17-19(3)26(38)34(24,42)31(43-21(5)37)32(6,46-30(40)22-13-9-7-10-14-22)27(39)25(35)29(33)45-36(44-28,47-35)23-15-11-8-12-16-23/h7-16,19-20,24-29,31,38-39,41-42H,1,17H2,2-6H3/t19-,20+,24+,25-,26-,27-,28-,29+,31+,32+,33-,34+,35-,36?/m0/s1
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| InChIKey |
OPJSETLEPOTHPU-CUGSBJROSA-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