N-Formyl-1,2-dihydrorenierone
AlkaPlorer ID: AK001031
Synonym: None
IUPAC Name: (2-formyl-7-methoxy-6-methyl-5,8-dioxo-1H-isoquinolin-1-yl)methyl (Z)-2-methylbut-2-enoate
Structure
SMILES: C/C=C(/C)\C(=O)OCC1C2=C(C=CN1C=O)C(=O)C(=C(C2=O)OC)C
InChI: InChI=1S/C18H19NO6/c1-5-10(2)18(23)25-8-13-14-12(6-7-19(13)9-20)15(21)11(3)17(24-4)16(14)22/h5-7,9,13H,8H2,1-4H3/b10-5-
InChIKey: VRZJVUPPQWDFAC-YHYXMXQVSA-N
Reference
Renieramycin G, a new alkaloid from the sponge Xestospongia caycedoi
PubChem CID: 6438762
CAS: 97581-08-3
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Xestospongia sp. | Xestospongia | Petrosiidae | Haplosclerida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 345.3510000000001
TPSA？: 89.98
MolLogP？: 1.2188999999999999
Number of H-Donors: 0
Number of H-Acceptors: 6
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | 786-0 | Activity | nan | None | 10.1021/np300211x |
| Homo sapiens | 786-0 | IC50 | 33800.0 | nM | 10.1021/np300211x |
| Homo sapiens | Endothelial PAS domain-containing protein 1 | EC50 | 2700.0 | nM | 10.1021/np300211x |
| Homo sapiens | Endothelial PAS domain-containing protein 1 | Inhibition | nan | % | 10.1021/np300211x |
| Homo sapiens | Hypoxia-inducible factor 1 alpha | Inhibition | nan | % | 10.1021/np300211x |
| Homo sapiens | Hypoxia inducible factors; HIF-1-alpha, HIF-2-alpha | Inhibition | nan | % | 10.1021/np300211x |
| None | Molecular identity unknown | Activity | nan | None | 10.1021/np300211x |
| None | NON-PROTEIN TARGET | IC50 | 26300.0 | nM | 10.1021/np300211x |
| None | NON-PROTEIN TARGET | IC50 | 38700.0 | nM | 10.1021/np300211x |
| None | Unchecked | Activity | nan | None | 10.1021/np300211x |