General Information of the Compound
| Compound ID |
CP0538737
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| Compound Name |
[(4S,4bS,7R,8aR,9R,10S,10aR)-7-ethenyl-4,4b,10-trihydroxy-1,1,7,8a-tetramethyl-5-oxo-3,4,4a,6,8,9,10,10a-octahydro-2H-phenanthren-9-yl] acetate
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| Formula |
C22H34O6
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| Molecular Weight |
394.508
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| Canonical SMILES |
CC(=O)O[C@H]1[C@@H](O)[C@@H]2C([C@@H](O)CCC2(C)C)[C@@]2(O)C(=O)C[C@@](C)(C[C@]12C)C=C
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| InChI |
InChI=1S/C22H34O6/c1-7-20(5)10-14(25)22(27)15-13(24)8-9-19(3,4)16(15)17(26)18(28-12(2)23)21(22,6)11-20/h7,13,15-18,24,26-27H,1,8-11H2,2-6H3/t13-,15?,16-,17-,18-,20-,21+,22-/m0/s1
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| InChIKey |
JTOCNQYPFWRTNZ-LHOADCHPSA-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