General Information of the Compound
| Compound ID |
CP0468891
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| Compound Name |
[(1R,2R,4R,6S,7S,9S,10R,11R)-6-(furan-3-yl)-17-hydroxy-1,7,11,15,15-pentamethyl-14,18-dioxo-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadeca-12,16-dien-9-yl] acetate
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| Structure |
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| Formula |
C28H32O7
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| Molecular Weight |
480.557
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| Canonical SMILES |
CC(=O)O[C@H]1C[C@@]2(C)[C@@H](C[C@H]3O[C@@]23[C@@]2(C)[C@H]1[C@@]1(C)C=CC(=O)C(C)(C)C1=C(O)C2=O)c1ccoc1
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| InChI |
InChI=1S/C28H32O7/c1-14(29)34-17-12-26(5)16(15-8-10-33-13-15)11-19-28(26,35-19)27(6)21(17)25(4)9-7-18(30)24(2,3)22(25)20(31)23(27)32/h7-10,13,16-17,19,21,31H,11-12H2,1-6H3/t16-,17-,19+,21+,25+,26-,27-,28+/m0/s1
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| InChIKey |
AJTULIWKBMDPCJ-IWAPATSESA-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