Nogalamycin
AlkaPlorer ID: AK024370
Synonym: None
IUPAC Name: methyl (1R,10S,12S,13R,21R,22S,23R,24R)-23-(dimethylamino)-4,8,12,22,24-pentahydroxy-10-methoxy-1,12-dimethyl-6,17-dioxo-20,25-dioxahexacyclo[19.3.1.02,19.05,18.07,16.09,14]pentacosa-2,4,7(16),8,14,18-hexaene-13-carboxylate
Structure
SMILES: COC(=O)[C@@H]1C2=CC3=C(C(=O)C4=C(O)C=C5C(=C4C3=O)O[C@@H]3O[C@@]5(C)[C@H](O)[C@@H](N(C)C)[C@@H]3O)C(O)=C2[C@@H](OC)C[C@]1(C)O
InChI: InChI=1S/C30H33NO12/c1-29(39)9-14(40-5)15-10(19(29)27(38)41-6)7-11-16(22(15)34)23(35)17-13(32)8-12-25(18(17)21(11)33)42-28-24(36)20(31(3)4)26(37)30(12,2)43-28/h7-8,14,19-20,24,26,28,32,34,36-37,39H,9H2,1-6H3/t14-,19-,20-,24-,26+,28+,29-,30+/m0/s1
InChIKey: HXCSJGHKDZKLKV-KCTIBYJUSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces nogalater | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 599.589
TPSA？: 192.52
MolLogP？: 0.5879000000000001
Number of H-Donors: 5
Number of H-Acceptors: 13
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Mus musculus | B16 | Activity | 84.0 | % | 10.1021/np50006a002 |
| Mus musculus | L1210 | Activity | 12.0 | % | 10.1021/np50006a002 |
| Mus musculus | L1210 | ID50 | 0.27 | mg/ml | 10.1021/np50006a002 |
| Mus musculus | L1210 | ID50 | 0.5 | nmol/ml | 10.1021/np50006a002 |
| Mus musculus | L1210 | ID50 | 3.8 | nmol/ml | 10.1021/np50006a002 |
| Mus musculus | P388 | Activity | 60.0 | % | 10.1021/np50006a002 |