General Information of the Compound
| Compound ID |
CP0381198
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| Compound Name |
[(1R,2R,4S,7R,8R,11R,12S,13S,15R,17S,19R)-13-acetyloxy-7-(furan-3-yl)-19-hydroxy-1,8,12,16,16-pentamethyl-5-oxo-3,6-dioxapentacyclo[9.8.0.02,4.02,8.012,17]nonadecan-15-yl] acetate
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| Structure |
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| Formula |
C30H40O9
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| Molecular Weight |
544.641
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| Canonical SMILES |
CC(=O)O[C@@H]1C[C@H](OC(C)=O)[C@]2(C)[C@H]3CC[C@]4(C)[C@H](OC(=O)[C@H]5O[C@@]45[C@@]3(C)[C@H](O)C[C@H]2C1(C)C)c1ccoc1
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| InChI |
InChI=1S/C30H40O9/c1-15(31)36-21-13-22(37-16(2)32)28(6)18-8-10-27(5)23(17-9-11-35-14-17)38-25(34)24-30(27,39-24)29(18,7)20(33)12-19(28)26(21,3)4/h9,11,14,18-24,33H,8,10,12-13H2,1-7H3/t18-,19+,20-,21-,22+,23-,24-,27-,28-,29-,30-/m1/s1
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| InChIKey |
MRMHZWKIOFZZID-VRULEFBYSA-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
Protein ID: PT03566, Solute carrier organic anion transporter family member 1B1
Protein ID: PT03657, Solute carrier organic anion transporter family member 1B3