General Information of the Compound
| Compound ID |
CP0423173
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| Compound Name |
[(1R,4bR,5R,6aR,10aR,10bR,12aR)-1-(furan-3-yl)-4b,7,7,10a,12a-pentamethyl-3,8-dioxo-5,6,6a,9,10,10b,11,12-octahydro-1H-naphtho[2,1-f]isochromen-5-yl] acetate
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| Structure |
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| Formula |
C28H36O6
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| Molecular Weight |
468.59
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| Canonical SMILES |
CC(=O)O[C@@H]1C[C@@H]2[C@](C)(CCC(=O)C2(C)C)[C@H]2CC[C@@]3(C)[C@@H](OC(=O)C=C3[C@]12C)c1ccoc1
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| InChI |
InChI=1S/C28H36O6/c1-16(29)33-22-13-19-25(2,3)21(30)8-11-26(19,4)18-7-10-27(5)20(28(18,22)6)14-23(31)34-24(27)17-9-12-32-15-17/h9,12,14-15,18-19,22,24H,7-8,10-11,13H2,1-6H3/t18-,19+,22-,24+,26-,27-,28-/m1/s1
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| InChIKey |
QDBAUJQKYJXHPB-SQIPALKSSA-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