General Information of the Compound
| Compound ID |
CP0433118
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| Compound Name |
methyl (2S,4aR,6aR,7R,9S,10aS,10bR)-2-(furan-3-yl)-9-(2-methoxyethoxymethoxy)-6a,10b-dimethyl-4,10-dioxo-2,4a,5,6,7,8,9,10a-octahydro-1H-benzo[f]isochromene-7-carboxylate
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| Synonyms |
CHEMBL272483
Salvinorin B 2-methoxyethoxymethyl ether
salvinorin B 2-methoxyethoxymethyl ether
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| Structure |
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| Formula |
C25H34O9
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| Molecular Weight |
478.538
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| Canonical SMILES |
COCCOCO[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1
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| InChI |
InChI=1S/C25H34O9/c1-24-7-5-16-23(28)34-19(15-6-8-31-13-15)12-25(16,2)21(24)20(26)18(11-17(24)22(27)30-4)33-14-32-10-9-29-3/h6,8,13,16-19,21H,5,7,9-12,14H2,1-4H3/t16-,17-,18-,19-,21-,24-,25-/m0/s1
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| InChIKey |
PIISJSXOJJEJHX-BYDLNXCSSA-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: PT01791, Delta-type opioid receptor
Protein ID: PT00983, Kappa-type opioid receptor
Protein ID: PT01549, Mu-type opioid receptor
Clinical Information about the Compound