Arcyriaflavin A; 1,11-Dihydroxy
AlkaPlorer ID: AK043634
Synonym: Antibiotic BE 13793C, BE 13793C, Antibiotic J 104303, J 104303
IUPAC Name: 5,21-dihydroxy-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17(22),18,20-nonaene-12,14-dione
Structure
SMILES: O=C1NC(=O)C2=C3C4=C(NC3=C3NC5=C(O)C=CC=C5C3=C12)C(O)=CC=C4
InChI: InChI=1S/C20H11N3O4/c24-9-5-1-3-7-11-13-14(20(27)23-19(13)26)12-8-4-2-6-10(25)16(8)22-18(12)17(11)21-15(7)9/h1-6,21-22,24-25H,(H,23,26,27)
InChIKey: FETFZHLVPOJEBR-UHFFFAOYSA-N
Reference
PubChem CID: 9928668
CAS: 133805-03-5
NPASS: NPC184905
COCONUT: CNP0405631
{NPAtlas: NPA011064
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces mobaraensis | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 357.3250000000001
TPSA？: 118.21
MolLogP？: 3.250400000000001
Number of H-Donors: 5
Number of H-Acceptors: 4
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | DNA topoisomerase I | EC50 | 3000.0 | nM | 10.1016/s0960-894x(99)00188-2 |
| Homo sapiens | DNA topoisomerase II | EC50 | 50000.0 | nM | 10.1016/s0960-894x(99)00188-2 |
| Homo sapiens | Epidermal growth factor receptor erbB1 | IC50 | 29000.0 | nM | 10.1016/s0960-894x(99)00188-2 |
| Homo sapiens | MKN-45 | IC50 | nan | nM | 10.1016/s0960-894x(99)00188-2 |
| Homo sapiens | Protein kinase C alpha | IC50 | 40000.0 | nM | 10.1016/s0960-894x(99)00188-2 |
| Mus musculus | P388 | EC200 | 3.0 | uM | 10.1016/s0960-894x(99)00188-2 |
| Mus musculus | P388 | IC50 | 2000.0 | nM | 10.1016/s0960-894x(99)00188-2 |