General Information of the Compound
| Compound ID |
CP0423098
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| Compound Name |
(1R,2R,4R,7bR,9R,11aR)-2,5,5,9,12,12-Hexamethyl-1,3,4,4a,5,8,9,10,11,11a,12,14b-dodecahydro-2H,7bH-benzo[c]isochromeno[3,4-g]chromene-7,14-dione
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| Structure |
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| Formula |
C26H36O4
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| Molecular Weight |
412.57
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| Canonical SMILES |
C[C@@H]1CC[C@@H]2[C@@H](C1)C1=C(OC2(C)C)C(=O)C2=C(OC(C)(C)[C@@H]3CC[C@@H](C)C[C@@H]23)C1=O
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| InChI |
InChI=1S/C26H36O4/c1-13-7-9-17-15(11-13)19-21(27)24-20(22(28)23(19)29-25(17,3)4)16-12-14(2)8-10-18(16)26(5,6)30-24/h13-18H,7-12H2,1-6H3/t13-,14-,15-,16-,17-,18-/m1/s1
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| InChIKey |
PREXAGWWLAMIAK-TYENPDHQSA-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