General Information of the Compound
| Compound ID |
CP0130404
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| Compound Name |
methyl (2S,4aR,6aR,7R,9S,10aS,10bR)-2-(furan-3-yl)-9-hydroxy-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 |
(-)-Salvinorin B
(2S,4aR,6aR,7R,9S,10aS,10bR)-2-(3-Furanyl)dodecahydro-9-hydroxy-6a,10b-dimethyl-4,10-dioxo-2H-naphtho[2,1-c]pyran-7-carboxylic Acid Methyl Ester
92545-30-7
=93.0% (HPLC)
A,10a
A,10b
A,4a
A,6a
A,9
AKOS027326793
BDBM50189136
BLTMVAIOAAGYAR-CEFSSPBYSA-N
CHEMBL424698
DTXSID50465988
Divinorin B
NCGC00181787-01
SALVINORIN B
SCHEMBL3144611
Salvinorin B
Salvinorin B solution, 1.0 mg/mL in acetonitrile: water (9:1), ampule of 1 mL, certified reference material
Salvinorin B, >
ZINC15449154
[2S-(2
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| Structure |
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| Formula |
C21H26O7
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| Molecular Weight |
390.432
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| Canonical SMILES |
COC(=O)[C@@H]1C[C@H](O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
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| InChI |
InChI=1S/C21H26O7/c1-20-6-4-12-19(25)28-15(11-5-7-27-10-11)9-21(12,2)17(20)16(23)14(22)8-13(20)18(24)26-3/h5,7,10,12-15,17,22H,4,6,8-9H2,1-3H3/t12-,13-,14-,15-,17-,20-,21-/m0/s1
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| InChIKey |
BLTMVAIOAAGYAR-CEFSSPBYSA-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: PT01200, Delta-type opioid receptor
Protein ID: PT01791, Delta-type opioid receptor
Protein ID: PT00983, Kappa-type opioid receptor
Cell-based Assay
Protein ID: PT01515, Mu-type opioid receptor
Protein ID: PT01549, Mu-type opioid receptor
Clinical Information about the Compound