methyl (4aS,7aS)-7-(hydroxymethyl)-1-oxo-2H,4aH,5H,7aH-cyclopenta[c]pyridine-4-carboxylate
AlkaPlorer ID: AK251307
Synonym: None
IUPAC Name: methyl (4aS,7aS)-7-(hydroxymethyl)-1-oxo-2,4a,5,7a-tetrahydrocyclopenta[c]pyridine-4-carboxylate
Structure
SMILES: COC(=O)C1=CN=C(O)[C@@H]2C(CO)=CC[C@H]12
InChI: InChI=1S/C11H13NO4/c1-16-11(15)8-4-12-10(14)9-6(5-13)2-3-7(8)9/h2,4,7,9,13H,3,5H2,1H3,(H,12,14)/t7-,9-/m1/s1
InChIKey: JKUVCURZAWEADG-VXNVDRBHSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Gardenia jasminoides | Gardenia | Rubiaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 223.228
TPSA？: 79.12
MolLogP？: 0.5681999999999999
Number of H-Donors: 2
Number of H-Acceptors: 4
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Rattus norvegicus | Cortical neurone | Activity | 59.0 | % | 10.1039/C9MD00211A |
| Rattus norvegicus | Cortical neurone | Activity | 69.4 | % | 10.1039/C9MD00211A |
| Rattus norvegicus | Cortical neurone | Activity | 79.3 | % | 10.1039/C9MD00211A |
| None | Unchecked | Activity | 59.0 | % | 10.1039/C9MD00211A |
| None | Unchecked | Activity | 60.0 | % | 10.1039/C9MD00211A |
| None | Unchecked | Activity | 65.8 | % | 10.1039/C9MD00211A |
| None | Unchecked | Activity | 66.2 | % | 10.1039/C9MD00211A |
| None | Unchecked | Activity | 70.9 | % | 10.1039/C9MD00211A |
| None | Unchecked | Activity | 71.1 | % | 10.1039/C9MD00211A |