General Information of the Compound
| Compound ID |
CP0387594
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| Compound Name |
5,16,25-trimethoxy-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
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| Structure |
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| Formula |
C31H30O4
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| Molecular Weight |
466.577
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| Canonical SMILES |
COc1ccc-2c(CCc3ccc(Oc4cc(CCc5ccc-2c(OC)c5)ccc4OC)cc3)c1
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| InChI |
InChI=1S/C31H30O4/c1-32-26-14-16-27-24(20-26)11-6-21-7-12-25(13-8-21)35-31-19-23(10-17-29(31)33-2)5-4-22-9-15-28(27)30(18-22)34-3/h7-10,12-20H,4-6,11H2,1-3H3
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| InChIKey |
CDFKRQXFXHECQG-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