7-Amino-1-hydroxymethyl-6-methyl-5,8-isoquinolinedione; O-Angeloyl
AlkaPlorer ID: AK030254
Synonym: Cribrostatin 3
IUPAC Name: (7-amino-6-methyl-5,8-dioxoisoquinolin-1-yl)methyl 2-methylbut-2-enoate
Structure
SMILES: CC=C(C)C(=O)OCC1=NC=CC2=C1C(=O)C(N)=C(C)C2=O
InChI: InChI=1S/C16H16N2O4/c1-4-8(2)16(21)22-7-11-12-10(5-6-18-11)14(19)9(3)13(17)15(12)20/h4-6H,7,17H2,1-3H3
InChIKey: OOVHJUXBXNVAER-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Cribrochalina | Niphatidae | Haplosclerida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 300.314
TPSA？: 99.35
MolLogP？: 1.7027
Number of H-Donors: 1
Number of H-Acceptors: 6
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|