General Information of the Compound
| Compound ID |
CP0391197
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| Compound Name |
[(1S,4bS,5R,8R,10S,10aR,12aR)-1-(furan-3-yl)-8,10-dihydroxy-4b,7,7,10a,12a-pentamethyl-3-oxo-1,5,6,6a,8,9,10,10b,11,12-decahydronaphtho[2,1-f]isochromen-5-yl] acetate
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| Structure |
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| Formula |
C28H38O7
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| Molecular Weight |
486.605
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| Canonical SMILES |
CC(=O)O[C@@H]1CC2C(C)(C)[C@H](O)C[C@H](O)[C@@]2(C)C2CC[C@@]3(C)[C@H](OC(=O)C=C3[C@@]12C)c1ccoc1
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| InChI |
InChI=1S/C28H38O7/c1-15(29)34-22-11-18-25(2,3)20(30)13-21(31)27(18,5)17-7-9-26(4)19(28(17,22)6)12-23(32)35-24(26)16-8-10-33-14-16/h8,10,12,14,17-18,20-22,24,30-31H,7,9,11,13H2,1-6H3/t17?,18?,20-,21+,22-,24-,26-,27+,28+/m1/s1
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| InChIKey |
UWNQSONNONTGTF-LTZHBOCPSA-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