7-Amino-1-hydroxymethyl-6-methyl-5,8-isoquinolinedione; N7-(2-Sulfoethyl), O-angeloyl
AlkaPlorer ID: AK063387
Synonym: Cribrostatin 7
IUPAC Name: 2-[[6-methyl-1-(2-methylbut-2-enoyloxymethyl)-5,8-dioxoisoquinolin-7-yl]amino]ethanesulfonic acid
Structure
SMILES: CC=C(C)C(=O)OCC1=NC=CC2=C1C(=O)C(NCCS(=O)(=O)O)=C(C)C2=O
InChI: InChI=1S/C18H20N2O7S/c1-4-10(2)18(23)27-9-13-14-12(5-6-19-13)16(21)11(3)15(17(14)22)20-7-8-28(24,25)26/h4-6,20H,7-9H2,1-3H3,(H,24,25,26)
InChIKey: QFEJPGOGKHRMDW-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Petrosia | Petrosiidae | Haplosclerida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 408.4320000000002
TPSA？: 139.73
MolLogP？: 1.2214
Number of H-Donors: 2
Number of H-Acceptors: 8
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|