General Information of the Compound
| Compound ID |
CP0515077
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| Compound Name |
14-oxapentacyclo[20.2.2.2^{10,13}.1^{15,19}.0^{2,7}]nonacosa-1(24),2(7),3,5,10,12,15,17,19(27),22,25,28-dodecaene-5,16-diol
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| Synonyms |
12-dehydroxyriccardin C
2',4-[Ethylene-1,4-phenylene-oxy-(6-hydroxy-1,3-phenylene)-ethylene]-1,1'-biphenyl-4'-ol
BDBM23850
CHEMBL260632
Riccardin C derivative, 20c
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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 |
Oc1ccc-2c(CCc3ccc(Oc4cc(CCc5ccc-2cc5)ccc4O)cc3)c1
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| InChI |
InChI=1S/C28H24O3/c29-24-12-15-26-22-9-3-19(4-10-22)1-2-21-8-16-27(30)28(17-21)31-25-13-6-20(7-14-25)5-11-23(26)18-24/h3-4,6-10,12-18,29-30H,1-2,5,11H2
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| InChIKey |
VSXIMYQGZUVRSK-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