General Information of the Compound
| Compound ID |
CP0149031
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| Compound Name |
methyl 2-[4-(5,15-dihydroxy-8,18-dioxatetracyclo[9.8.0.02,7.012,17]nonadeca-1(11),2(7),3,5,12(17),13,15-heptaen-19-yl)phenoxy]acetate
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| Structure |
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| Formula |
C26H22O7
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| Molecular Weight |
446.455
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| Canonical SMILES |
COC(=O)COc1ccc(cc1)C1Oc2cc(O)ccc2C2=C1c1ccc(O)cc1OCC2
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| InChI |
InChI=1S/C26H22O7/c1-30-24(29)14-32-18-6-2-15(3-7-18)26-25-20(19-8-4-17(28)13-23(19)33-26)10-11-31-22-12-16(27)5-9-21(22)25/h2-9,12-13,26-28H,10-11,14H2,1H3
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| InChIKey |
JTNRUVDDTQIJPD-UHFFFAOYSA-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