nogalamycin
AlkaPlorer ID: AK000682
Synonym: 'Nogalamycin'
IUPAC Name: methyl (1S,10R,12R,13S,22R,23S,24S)-23-(dimethylamino)-4,8,12,22,24-pentahydroxy-1,12-dimethyl-6,17-dioxo-10-[(2S,3S,4R,5R,6R)-3,4,5-trimethoxy-4,6-dimethyloxan-2-yl]oxy-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)OC3O[C@]5(C)[C@@H](O)[C@H](N(C)C)[C@H]3O)C(O)=C2[C@H](O[C@H]2O[C@H](C)[C@@H](OC)[C@@](C)(OC)[C@@H]2OC)C[C@@]1(C)O
InChI: InChI=1S/C39H49NO16/c1-14-32(49-7)39(4,52-10)33(50-8)36(53-14)54-19-13-37(2,48)24(34(47)51-9)15-11-16-21(27(43)20(15)19)28(44)22-18(41)12-17-30(23(22)26(16)42)55-35-29(45)25(40(5)6)31(46)38(17,3)56-35/h11-12,14,19,24-25,29,31-33,35-36,41,43,45-46,48H,13H2,1-10H3/t14-,19-,24-,25-,29-,31+,32-,33-,35?,36-,37-,38+,39-/m1/s1
InChIKey: KGTDRFCXGRULNK-LIKBLWDQSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces nogalater | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 787.812
TPSA？: 229.44
MolLogP？: 1.138000000000001
Number of H-Donors: 5
Number of H-Acceptors: 17
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|