Thailandepsin A
AlkaPlorer ID: AK053650
Synonym: None
IUPAC Name: (1S,5S,6R,9S,20R)-6-butan-2-yl-5-hydroxy-20-(2-methylsulfanylethyl)-2-oxa-11,12-dithia-7,19,22-triazabicyclo[7.7.6]docos-15-ene-3,8,18,21-tetrone
Structure
SMILES: CCC(C)[C@H]1NC(=O)[C@H]2CSSCCC=C[C@H](CC(=O)N[C@H](CCSC)C(=O)N2)OC(=O)C[C@@H]1O
InChI: InChI=1S/C23H37N3O6S3/c1-4-14(2)21-18(27)12-20(29)32-15-7-5-6-9-34-35-13-17(23(31)26-21)25-22(30)16(8-10-33-3)24-19(28)11-15/h5,7,14-18,21,27H,4,6,8-13H2,1-3H3,(H,24,28)(H,25,30)(H,26,31)/t14?,15-,16-,17-,18+,21-/m1/s1
InChIKey: VJXBYUITQBTTQM-YIRSYDPWSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Chromobacterium violaceum | Chromobacterium | Chromobacteriaceae | Neisseriales | Betaproteobacteria | Pseudomonadota | None | Bacteria |
Properties Information
Molecule Weight: 547.7650000000003
TPSA？: 133.83
MolLogP？: 1.6478000000000008
Number of H-Donors: 4
Number of H-Acceptors: 9
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|