General Information of the Compound
| Compound ID |
CP0391557
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| Compound Name |
(3S,4aR,4bS,6S,8R,8aR,10aS)-6-Acetoxy-3-furan-3-yl-4a,8a-dimethyl-1,5-dioxo-dodecahydro-2-oxa-phenanthrene-8-carboxylic acid methyl ester
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| Synonyms |
(2S,4aalpha,10abeta)-2beta-(3-Furyl)-4,10-dioxo-6aalpha,10balpha-dimethyl-9alpha-acetoxydodecahydro-2H-naphtho[2,1-c]pyran-7alpha-carboxylic acid methyl ester
(3S,4aR,4bS,6S,8R,8aR,10aS)-6-Acetoxy-3-furan-3-yl-4a,8a-dimethyl-1,5-dioxo-dodecahydro-2-oxa-phenanthrene-8-carboxylic acid methyl ester
BDBM50159169
CHEMBL435108
Salvinorin A (ester)
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| Structure |
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| Formula |
C23H28O8
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| Molecular Weight |
432.469
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| Canonical SMILES |
COC(=O)[C@@H]1C[C@H](OC(C)=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/C23H28O8/c1-12(24)30-16-9-15(20(26)28-4)22(2)7-5-14-21(27)31-17(13-6-8-29-11-13)10-23(14,3)19(22)18(16)25/h6,8,11,14-17,19H,5,7,9-10H2,1-4H3/t14-,15+,16+,17+,19+,22+,23+/m1/s1
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| InChIKey |
OBSYBRPAKCASQB-FBCTZMOOSA-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: PT00983, Kappa-type opioid receptor
Protein ID: PT01460, Kappa-type opioid receptor
Clinical Information about the Compound