General Information of the Compound
| Compound ID |
CP0197366
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| Compound Name |
12-O-deacetyl-12-epi-19-O-methylscalarin
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| Structure |
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| Formula |
C26H40O4
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| Molecular Weight |
416.602
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| Canonical SMILES |
CO[C@@H]1OC(=O)C2=CC[C@H]3[C@]4(C)CC[C@H]5C(C)(C)CCC[C@]5(C)[C@H]4C[C@@H](O)[C@]3(C)[C@@H]12
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| InChI |
InChI=1S/C26H40O4/c1-23(2)11-7-12-24(3)16(23)10-13-25(4)17-9-8-15-20(22(29-6)30-21(15)28)26(17,5)19(27)14-18(24)25/h8,16-20,22,27H,7,9-14H2,1-6H3/t16-,17-,18+,19+,20+,22+,24-,25-,26+/m0/s1
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| InChIKey |
SZCOSHPHASAUBT-WCGKCGFQSA-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