3-ethyl 5-(2S,3R,7R,9S,10R)-4-methyl-12-oxo-11,16,18-trioxa-4-azapentacyclo[11.7.0.0²,¹⁰.0³,⁷.0¹⁵,¹⁹]icosa-1(13),14,19-trien-9-yl 2,6-dimethylpyridine-3,5-dicarboxylate
AlkaPlorer ID: AK180122
Synonym: None
IUPAC Name: 3-O-ethyl 5-O-[(2S,3R,7R,9S,10R)-4-methyl-12-oxo-11,16,18-trioxa-4-azapentacyclo[11.7.0.02,10.03,7.015,19]icosa-1(20),13,15(19)-trien-9-yl] 2,6-dimethylpyridine-3,5-dicarboxylate
Structure
SMILES: CCOC(=O)C1=CC(C(=O)O[C@H]2C[C@H]3CCN(C)[C@H]3[C@@H]3C4=CC5=C(C=C4C(=O)O[C@H]32)OCO5)=C(C)N=C1C
InChI: InChI=1S/C28H30N2O8/c1-5-34-26(31)16-9-17(14(3)29-13(16)2)27(32)37-22-8-15-6-7-30(4)24(15)23-18-10-20-21(36-12-35-20)11-19(18)28(33)38-25(22)23/h9-11,15,22-25H,5-8,12H2,1-4H3/t15-,22+,23+,24-,25+/m1/s1
InChIKey: CIGBOXJOIYMZFE-ARIYCVRESA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Clivia miniata | Clivia | Amaryllidaceae | Asparagales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 522.5540000000003
TPSA？: 113.49000000000002
MolLogP？: 3.176040000000002
Number of H-Donors: 0
Number of H-Acceptors: 10
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Enterovirus C | Enterovirus C | pTCD50 | 1.0 | None | 10.1021/np50023a009 |
| Enterovirus C | Enterovirus C | pTCD50 | 10.0 | None | 10.1021/np50023a009 |
| Measles morbillivirus | Measles morbillivirus | pTCD50 | 1.0 | None | 10.1021/np50023a009 |
| Semliki Forest virus | Semliki Forest virus | pTCD50 | 1.0 | None | 10.1021/np50023a009 |
| Semliki Forest virus | Semliki Forest virus | pTCD50 | 10.0 | None | 10.1021/np50023a009 |
| Simplexvirus | Simplexvirus | pTCD50 | 10.0 | None | 10.1021/np50023a009 |