General Information of the Compound
| Compound ID |
CP0529818
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| Compound Name |
5,16-dimethoxy-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 |
C30H28O3
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| Molecular Weight |
436.551
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| Canonical SMILES |
COc1ccc-2c(CCc3ccc(Oc4cc(CCc5ccc-2cc5)ccc4OC)cc3)c1
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| InChI |
InChI=1S/C30H28O3/c1-31-27-16-17-28-24-11-5-21(6-12-24)3-4-23-10-18-29(32-2)30(19-23)33-26-14-8-22(9-15-26)7-13-25(28)20-27/h5-6,8-12,14-20H,3-4,7,13H2,1-2H3
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| InChIKey |
HMOXHHMJBYTUJK-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