Streptonigrin; 10'-Demethoxy
AlkaPlorer ID: AK066594
Synonym: 10'-Demethoxystreptonigrin
IUPAC Name: 5-amino-6-(7-amino-6-methoxy-5,8-dioxoquinolin-2-yl)-4-(2-hydroxy-3-methoxyphenyl)-3-methylpyridine-2-carboxylic acid
Structure
SMILES: COC1=C(N)C(=O)C2=NC(C3=C(N)C(C4=C(O)C(OC)=CC=C4)=C(C)C(C(=O)O)=N3)=CC=C2C1=O
InChI: InChI=1S/C24H20N4O7/c1-9-14(10-5-4-6-13(34-2)20(10)29)15(25)19(28-17(9)24(32)33)12-8-7-11-18(27-12)22(31)16(26)23(35-3)21(11)30/h4-8,29H,25-26H2,1-3H3,(H,32,33)
InChIKey: ULSNCNUVHUNMCF-UHFFFAOYSA-N
Reference
10'-Desmethoxystreptonigrin, a novel analog of streptonigrin.
PubChem CID: 131994
CAS: 136803-89-9
LOTUS: LTS0100145
SuperNatural Ⅲ: SN0373774
COCONUT: CNP0312922
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
| Streptomyces albus | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 476.4450000000002
TPSA？: 187.95
MolLogP？: 2.3093200000000005
Number of H-Donors: 4
Number of H-Acceptors: 10
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Protein farnesyltransferase | IC50 | 21000.0 | nM | 10.1021/jm970226l |