Paulomycin E
AlkaPlorer ID: AK056202
Synonym: ''
IUPAC Name: (3R)-3-[(2S,3S,4S,5S,6S)-4-[(2R,4R,5S,6R)-5-acetyl-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-6-(acetyloxymethyl)-3-hydroxy-5-[(Z)-2-isothiocyanatobut-2-enoyl]oxyoxan-2-yl]-2,3-dihydroxy-6-imino-5-oxocyclohexene-1-carboxylic acid
Structure
SMILES: C/C=C(\N=C=S)C(=O)O[C@@H]1[C@@H](O[C@H]2C[C@@H](OC)[C@](O)(C(C)=O)[C@@H](C)O2)[C@H](O)[C@@H]([C@]2(O)CC(=O)C(N)=C(C(=O)O)C2=O)O[C@H]1COC(C)=O
InChI: InChI=1S/C29H36N2O16S/c1-6-14(31-10-48)27(39)47-22-16(9-43-13(4)33)45-25(28(40)8-15(34)20(30)19(24(28)36)26(37)38)21(35)23(22)46-18-7-17(42-5)29(41,11(2)32)12(3)44-18/h6,12,16-18,21-23,25,35,40-41H,7-9,30H2,1-5H3,(H,37,38)/b14-6-/t12-,16+,17-,18+,21+,22+,23+,25+,28+,29+/m1/s1
InChIKey: ZIOGVGDMWOZVBR-OPCYLLQXSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces paulus | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 700.6720000000003
TPSA？: 277.1
MolLogP？: -1.9781999999999904
Number of H-Donors: 5
Number of H-Acceptors: 18
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|