General Information of the Compound
| Compound ID |
CP0087875
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| Compound Name |
4-O-[(2S,4aR,6aR,7R,9S,10aS,10bR)-2-(furan-3-yl)-7-methoxycarbonyl-6a,10b-dimethyl-4,10-dioxo-2,4a,5,6,7,8,9,10a-octahydro-1H-benzo[f]isochromen-9-yl] 1-O-methyl (E)-but-2-enedioate
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| Structure |
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| Formula |
C26H30O10
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| Molecular Weight |
502.516
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| Canonical SMILES |
COC(=O)\C=C\C(=O)O[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1
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| InChI |
InChI=1S/C26H30O10/c1-25-9-7-15-24(31)36-18(14-8-10-34-13-14)12-26(15,2)22(25)21(29)17(11-16(25)23(30)33-4)35-20(28)6-5-19(27)32-3/h5-6,8,10,13,15-18,22H,7,9,11-12H2,1-4H3/b6-5+/t15-,16-,17-,18-,22-,25-,26-/m0/s1
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| InChIKey |
WBQBXUZFNGSCON-BJNOWMNCSA-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