General Information of the Compound
| Compound ID |
CP0397390
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| Compound Name |
(1R,2R,3S,3aR,8bS)-1,8b-dihydroxy-8-methoxy-2-methoxycarbonyl-3a-(4-methoxyphenyl)-3-phenyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-6-carboxylic acid
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| Structure |
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| Formula |
C28H26O9
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| Molecular Weight |
506.507
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| Canonical SMILES |
COC(=O)[C@H]1[C@@H](O)[C@@]2(O)c3c(O[C@]2([C@@H]1c1ccccc1)c1ccc(OC)cc1)cc(cc3OC)C(O)=O
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| InChI |
InChI=1S/C28H26O9/c1-34-18-11-9-17(10-12-18)28-22(15-7-5-4-6-8-15)21(26(32)36-3)24(29)27(28,33)23-19(35-2)13-16(25(30)31)14-20(23)37-28/h4-14,21-22,24,29,33H,1-3H3,(H,30,31)/t21-,22-,24-,27+,28+/m1/s1
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| InChIKey |
JMJMNCVXVBQMLE-BIKHGDPZSA-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