General Information of the Compound
| Compound ID |
CP0944442
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| Compound Name |
rac-4-(cycloocta-1,3,5,7-tetraenyl)-2-hydroxy-2-methyl-3,4-dihydropyrano[3,2-c]chromen-5(2H)-one
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| Structure |
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| Formula |
C21H18O4
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| Molecular Weight |
334.371
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| Canonical SMILES |
CC1(O)CC(C2=C/C=C\C=C/C=C\2)c2c(c3ccccc3oc2=O)O1
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| InChI |
InChI=1S/C21H18O4/c1-21(23)13-16(14-9-5-3-2-4-6-10-14)18-19(25-21)15-11-7-8-12-17(15)24-20(18)22/h2-12,16,23H,13H2,1H3/b3-2-,4-2?,5-3?,6-4-,9-5-,10-6?,14-9?,14-10+
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| InChIKey |
LMJHSJCEICXGOL-UXVYFPRPSA-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