General Information of the Compound
| Compound ID |
CP0864189
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| Compound Name |
3-(((2S,3R,4R,5R,6S)-6-ethyl-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one
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| Structure |
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| Formula |
C22H22O10
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| Molecular Weight |
446.408
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| Canonical SMILES |
CC[C@@H]1O[C@@H](Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@H](O)[C@H]1O
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| InChI |
InChI=1S/C22H22O10/c1-2-13-16(26)18(28)19(29)22(31-13)32-21-17(27)15-12(25)7-11(24)8-14(15)30-20(21)9-3-5-10(23)6-4-9/h3-8,13,16,18-19,22-26,28-29H,2H2,1H3/t13-,16-,18+,19+,22-/m0/s1
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| InChIKey |
YKEOPYUONVHGAZ-JPJNWVEQSA-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