Erinacean
AlkaPlorer ID: AK060597
Synonym: N-(7,8-Dihydro-8-oxo-H-purin-6-yl)-β-alanine, N6-β-Alanyl-8-oxoadenine
IUPAC Name: 3-[(8-oxo-7,9-dihydropurin-6-yl)amino]propanoic acid
Structure
SMILES: O=C(O)CCNC1=NC=NC2=C1N=C(O)N2
InChI: InChI=1S/C8H9N5O3/c14-4(15)1-2-9-6-5-7(11-3-10-6)13-8(16)12-5/h3H,1-2H2,(H,14,15)(H3,9,10,11,12,13,16)
InChIKey: RXGSEDHUXCWOJX-UHFFFAOYSA-N
Reference
Purine and Nucleoside Metabolites from the Antarctic Sponge <i>Isodictya erinacea</i>
PubChem CID: 10680590
CAS: 161212-38-0
LOTUS: LTS0054319
NPASS: NPC246193
COCONUT: CNP0252243
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Isodictya erinacea | Isodictya | Isodictyidae | Poecilosclerida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 223.192
TPSA？: 124.02
MolLogP？: -0.0549000000000004
Number of H-Donors: 4
Number of H-Acceptors: 6
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Escherichia coli | Escherichia coli | Activity | nan | None | 10.1021/np970358h |
| Mus musculus | L5178Y | LD50 | 50.0 | ug ml-1 | 10.1021/np970358h |
| Perknaster fuscus | Perknaster fuscus | Activity | nan | None | 10.1021/np970358h |
| Staphylococcus aureus | Staphylococcus aureus | Activity | nan | None | 10.1021/np970358h |
| Staphylococcus epidermidis | Staphylococcus epidermidis | Activity | nan | None | 10.1021/np970358h |