General Information of the Compound
| Compound ID |
CP0534040
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| Compound Name |
6-(3-methoxyphenyl)-2,8-dioxopyrano[2,3-f]chromene-3,9-dicarboxylic acid
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| Structure |
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| Formula |
C21H12O9
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| Molecular Weight |
408.318
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| Canonical SMILES |
COc1cccc(c1)-c1cc2cc(C(O)=O)c(=O)oc2c2cc(C(O)=O)c(=O)oc12
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| InChI |
InChI=1S/C21H12O9/c1-28-11-4-2-3-9(5-11)12-6-10-7-14(18(22)23)20(26)29-16(10)13-8-15(19(24)25)21(27)30-17(12)13/h2-8H,1H3,(H,22,23)(H,24,25)
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| InChIKey |
GMSQXARDKZODQS-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