7-O-Dimethylcelesticetin
AlkaPlorer ID: AK033820
Synonym: '', '7-O-Demethylcelesticetin', '7-O-Dimethylcelesticetin'
IUPAC Name: 2-[(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-[(1R,2R)-2-hydroxy-1-[[(2S)-1-methylpyrrolidine-2-carbonyl]amino]propyl]oxan-2-yl]sulfanylethyl 2-hydroxybenzoate
Structure
SMILES: C[C@@H](O)[C@@H](N=C(O)[C@@H]1CCCN1C)[C@@H]1O[C@H](SCCOC(=O)C2=CC=CC=C2O)[C@H](O)[C@@H](O)[C@H]1O
InChI: InChI=1S/C23H34N2O9S/c1-12(26)16(24-21(31)14-7-5-9-25(14)2)20-18(29)17(28)19(30)23(34-20)35-11-10-33-22(32)13-6-3-4-8-15(13)27/h3-4,6,8,12,14,16-20,23,26-30H,5,7,9-11H2,1-2H3,(H,24,31)/t12-,14+,16-,17+,18-,19-,20+,23-/m1/s1
InChIKey: YYUIVIDHYIOOCM-FWXYZYEUSA-N
Reference
ANTIBIOTICS PRODUCED BY MUTANTS OF STREPTOMYCES CAELESTIS. I
PubChem CID: 163039977
LOTUS: LTS0116146
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces caelestis | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 514.5970000000002
TPSA？: 172.51
MolLogP？: -0.1101000000000005
Number of H-Donors: 6
Number of H-Acceptors: 11
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|