General Information of the Compound
| Compound ID |
CP0553114
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| Compound Name |
[(1R,2R,4S,5S,6R,7S,8R,9S,10R,11R,15S,16R,18S)-7,9-diacetyloxy-5,6,18-trihydroxy-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 |
C38H44O12
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| Molecular Weight |
692.758
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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](OC(C)=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/C38H44O12/c1-19(2)35(43)29-21(4)37-26-18-20(3)28(41)36(26,44)33(46-23(6)40)34(7,49-32(42)24-14-10-8-11-15-24)30(45-22(5)39)27(37)31(35)48-38(47-29,50-37)25-16-12-9-13-17-25/h8-17,20-21,26-31,33,41,43-44H,1,18H2,2-7H3/t20-,21+,26+,27-,28-,29-,30-,31+,33+,34+,35-,36+,37-,38?/m0/s1
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| InChIKey |
WCHULCQKWJRXBG-SPQNPJFSSA-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