General Information of the Compound
| Compound ID |
CP0523783
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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-dodecaen-16-ol
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| Synonyms |
12,17-dehydroxyriccardin C
BDBM23852
CHEMBL429324
Riccardin C derivative, 20e
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| Structure |
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| Formula |
C28H24O2
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| Molecular Weight |
392.498
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| Canonical SMILES |
Oc1ccc2CCc3ccc(cc3)-c3ccccc3CCc3ccc(Oc1c2)cc3
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| InChI |
InChI=1S/C28H24O2/c29-27-18-12-22-6-5-20-8-14-24(15-9-20)26-4-2-1-3-23(26)13-7-21-10-16-25(17-11-21)30-28(27)19-22/h1-4,8-12,14-19,29H,5-7,13H2
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| InChIKey |
CTGIBRGBEVEPID-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