7-Amino-5,8-isoquinolinedione; N7-(2-Hydroxyethyl)
AlkaPlorer ID: AK065880
Synonym: 7-[(2-Hydroxyethyl)amino]-5,8-isoquinolinedione, Caulibugulone D
IUPAC Name: 7-(2-hydroxyethylamino)isoquinoline-5,8-dione
Structure
SMILES: O=C1C=C(NCCO)C(=O)C2=C1C=CN=C2
InChI: InChI=1S/C11H10N2O3/c14-4-3-13-9-5-10(15)7-1-2-12-6-8(7)11(9)16/h1-2,5-6,13-14H,3-4H2
InChIKey: JPUNXFPVVKDHNP-UHFFFAOYSA-N
Reference
Daucanes and other constituents from Ferula sinaica
PubChem CID: 2598
CAS: 662167-18-2
SuperNatural Ⅲ: SN0171980
NPASS: NPC213914
COCONUT: CNP0243014
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Caulibugula | Bugulidae | Cheilostomatida | Gymnolaemata | Bryozoa | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 218.212
TPSA？: 79.29
MolLogP？: -0.0735999999999998
Number of H-Donors: 2
Number of H-Acceptors: 5
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Bacillus anthracis | Anthrax lethal factor | Potency | 25118.9 | nM | None |
| Homo sapiens | Arachidonate 15-lipoxygenase, type II | Potency | 15848.9 | nM | None |
| Homo sapiens | Bloom syndrome protein | Potency | 28183.8 | nM | None |
| Homo sapiens | Caspase-1 | Potency | 3162.3 | nM | None |
| Homo sapiens | Caspase-7 | Potency | 12589.3 | nM | None |
| Homo sapiens | Cellular tumor antigen p53 | Potency | 3162.3 | nM | None |
| Homo sapiens | Cellular tumor antigen p53 | Potency | 3981.1 | nM | None |
| Homo sapiens | Cytochrome P450 3A4 | Potency | 7943.3 | nM | None |
| Homo sapiens | DNA-(apurinic or apyrimidinic site) lyase | Potency | 15848.9 | nM | None |
| Homo sapiens | Microtubule-associated protein tau | Potency | 39810.7 | nM | None |
| Homo sapiens | Survival motor neuron protein | Potency | 5011.9 | nM | None |
| Mus musculus | Nuclear receptor ROR-gamma | Potency | 3548.1 | nM | None |
| Mus musculus | Nuclear receptor ROR-gamma | Potency | 6309.6 | nM | None |
| None | NON-PROTEIN TARGET | IC50 | 1.67 | ug.mL-1 | 10.1021/np030378l |
| None | Unchecked | Potency | 1995.3 | nM | None |