Epelmycin C
AlkaPlorer ID: AK023548
Synonym: None
IUPAC Name: methyl (1R,2R,4S)-4-[(2R,4S,5R,6S)-5-[(2S,4S,5S,6S)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-4-(dimethylamino)-6-methyloxan-2-yl]oxy-2-ethyl-2,5,7,12-tetrahydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate
Structure
SMILES: CC[C@@]1(O)C[C@H](O[C@H]2C[C@H](N(C)C)[C@@H](O[C@H]3C[C@H](O)[C@H](O)[C@H](C)O3)[C@H](C)O2)C2=C(O)C3=C(C(=O)C4=CC=CC(O)=C4C3=O)C(O)=C2[C@H]1C(=O)OC
InChI: InChI=1S/C36H45NO14/c1-7-36(46)13-20(50-21-11-17(37(4)5)34(15(3)49-21)51-22-12-19(39)29(40)14(2)48-22)24-25(28(36)35(45)47-6)33(44)26-27(32(24)43)31(42)23-16(30(26)41)9-8-10-18(23)38/h8-10,14-15,17,19-22,28-29,34,38-40,43-44,46H,7,11-13H2,1-6H3/t14-,15-,17-,19-,20-,21-,22-,28-,29+,34-,36+/m0/s1
InChIKey: WZIPAGOFYCDCEJ-XCAZKSJXSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces violaceus | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 715.7490000000003
TPSA？: 221.98
MolLogP？: 1.7448999999999992
Number of H-Donors: 6
Number of H-Acceptors: 15
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|