General Information of the Compound
| Compound ID |
CP0410725
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| Compound Name |
phenacyl 3,4-dihydroxybenzoate
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| Structure |
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| Formula |
C15H12O5
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| Molecular Weight |
272.256
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| Canonical SMILES |
Oc1ccc(cc1O)C(=O)OCC(=O)c1ccccc1
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| InChI |
InChI=1S/C15H12O5/c16-12-7-6-11(8-13(12)17)15(19)20-9-14(18)10-4-2-1-3-5-10/h1-8,16-17H,9H2
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| InChIKey |
IQJADIIDLCZXHJ-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
Protein ID: PT00886, Estrogen receptor
Protein ID: PT00889, Estrogen receptor beta