General Information of the Compound
| Compound ID |
CP0473732
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| Compound Name |
(9S,10S)-9,10-dihydroxy-8,8-dimethyl-3-(2,4,5-trimethoxyphenyl)-2,3,9,10-tetrahydropyrano[2,3-f]chromen-4-one
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| Structure |
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| Formula |
C23H26O8
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| Molecular Weight |
430.453
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| Canonical SMILES |
COc1cc(OC)c(cc1OC)C1COc2c(ccc3OC(C)(C)[C@@H](O)[C@@H](O)c23)C1=O
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| InChI |
InChI=1S/C23H26O8/c1-23(2)22(26)20(25)18-14(31-23)7-6-11-19(24)13(10-30-21(11)18)12-8-16(28-4)17(29-5)9-15(12)27-3/h6-9,13,20,22,25-26H,10H2,1-5H3/t13?,20-,22-/m0/s1
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| InChIKey |
UEXMDRWEQGYGLV-JFNSLKJKSA-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