General Information of the Compound
| Compound ID |
CP0433898
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| Compound Name |
14-oxapentacyclo[20.2.2.2^{10,13}.1^{15,19}.0^{2,7}]nonacosa-1(25),2(7),3,5,10,12,15,17,19(27),22(26),23,28-dodecaene-16,24-diol
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| Synonyms |
17-dehydroxyriccardin C
2',4-[Ethylene-1,4-phenylene-oxy-(6-hydroxy-1,3-phenylene)-ethylene]-1,1'-biphenyl-2-ol
BDBM23849
CHEMBL409652
Riccardin C derivative, 20b
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| Structure |
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| Formula |
C28H24O3
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| Molecular Weight |
408.497
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| Canonical SMILES |
Oc1ccc2CCc3ccc(c(O)c3)-c3ccccc3CCc3ccc(Oc1c2)cc3
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| InChI |
InChI=1S/C28H24O3/c29-26-16-11-21-6-5-20-10-15-25(27(30)17-20)24-4-2-1-3-22(24)12-7-19-8-13-23(14-9-19)31-28(26)18-21/h1-4,8-11,13-18,29-30H,5-7,12H2
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| InChIKey |
OAEVJFPPXJHCKV-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
Protein ID: PT01555, Oxysterols receptor LXR-alpha
Protein ID: PT01887, Oxysterols receptor LXR-beta
Clinical Information about the Compound