General Information of the Compound
| Compound ID |
CP0429777
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| Compound Name |
(1R,2S,3S,5R,8R,11R,12R)-5-(furan-3-yl)-12-hydroxy-3,11-dimethyl-6,14-dioxatetracyclo[10.2.2.02,11.03,8]hexadecane-7,13-dione
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| Structure |
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| Formula |
C20H24O6
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| Molecular Weight |
360.406
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| Canonical SMILES |
C[C@@]12C[C@@H](OC(=O)[C@@H]1CC[C@]1(C)[C@H]2[C@H]2CC[C@]1(O)C(=O)O2)c1ccoc1
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| InChI |
InChI=1S/C20H24O6/c1-18-9-14(11-5-8-24-10-11)25-16(21)12(18)3-6-19(2)15(18)13-4-7-20(19,23)17(22)26-13/h5,8,10,12-15,23H,3-4,6-7,9H2,1-2H3/t12-,13+,14+,15-,18+,19+,20-/m0/s1
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| InChIKey |
VPHUPHUZDVKWDW-JEAKYOOPSA-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