General Information of the Compound
| Compound ID |
CP0845069
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| Compound Name |
salvinorin B 1-ethoxyethyl ether
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| Synonyms |
BDBM50374630
CHEMBL257922
CHEMBL556996
Salvinorin B 1-ethoxyethyl ether
salvinorin B 1-ethoxyethyl ether
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| Structure |
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| Formula |
C25H35ClO8
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| Molecular Weight |
499
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| Canonical SMILES |
CCOC(C)O[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@H](c4ccoc4)C[C@]3(C)[C@H]2C1=O.Cl
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| InChI |
InChI=1S/C25H34O8.ClH/c1-6-31-14(2)32-18-11-17(22(27)29-5)24(3)9-7-16-23(28)33-19(15-8-10-30-13-15)12-25(16,4)21(24)20(18)26;/h8,10,13-14,16-19,21H,6-7,9,11-12H2,1-5H3;1H/t14?,16-,17-,18-,19-,21-,24-,25-;/m0./s1
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| InChIKey |
ZGLSOBCUTUFGHE-LMEMKYRVSA-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