General Information of the Compound
| Compound ID |
CP0861454
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| Compound Name |
PEUCEDANIN
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| Structure |
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| Formula |
C15H14O4
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| Molecular Weight |
258.273
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| Canonical SMILES |
COc1c(C(C)C)oc2cc3oc(=O)ccc3cc12
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| InChI |
InChI=1S/C15H14O4/c1-8(2)14-15(17-3)10-6-9-4-5-13(16)18-11(9)7-12(10)19-14/h4-8H,1-3H3
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| InChIKey |
YQBNJPACAUPNLV-UHFFFAOYSA-N
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| CAS |
133-26-6
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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