General Information of the Compound
| Compound ID |
CP0562417
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| Compound Name |
2-(7-hexoxy-4,8-dimethyl-2-oxochromen-3-yl)acetic acid
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| Structure |
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| Formula |
C19H24O5
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| Molecular Weight |
332.396
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| Canonical SMILES |
CCCCCCOc1ccc2c(C)c(CC(O)=O)c(=O)oc2c1C
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| InChI |
InChI=1S/C19H24O5/c1-4-5-6-7-10-23-16-9-8-14-12(2)15(11-17(20)21)19(22)24-18(14)13(16)3/h8-9H,4-7,10-11H2,1-3H3,(H,20,21)
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| InChIKey |
QHWCCEJWBSIQAP-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