General Information of the Compound
| Compound ID |
CP0418935
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| Compound Name |
methyl (2S,4aR,6aR,7R,9S,10aS,10bR)-9-[(E)-3-(2,5-dimethoxyphenyl)prop-2-enoyl]oxy-2-(furan-3-yl)-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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| Structure |
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| Formula |
C32H36O10
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| Molecular Weight |
580.63
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| Canonical SMILES |
COC(=O)[C@@H]1C[C@H](OC(=O)\C=C\c2cc(OC)ccc2OC)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/C32H36O10/c1-31-12-10-21-30(36)42-25(19-11-13-40-17-19)16-32(21,2)28(31)27(34)24(15-22(31)29(35)39-5)41-26(33)9-6-18-14-20(37-3)7-8-23(18)38-4/h6-9,11,13-14,17,21-22,24-25,28H,10,12,15-16H2,1-5H3/b9-6+/t21-,22-,24-,25-,28-,31-,32-/m0/s1
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| InChIKey |
VIWGUIYNVDSJQW-ISPAZOJJSA-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: PT00983, Kappa-type opioid receptor
Protein ID: PT01515, Mu-type opioid receptor