N-[(1R)-1-{4-[(1E,3E)-6-[(1R,2S,5S)-2,5-dihydroxy-2-methylcyclohexyl]-5-oxohexa-1,3-dien-1-yl]-1,3-thiazol-2-yl}ethyl]acetamide
AlkaPlorer ID: AK526220
Synonym: None
IUPAC Name: N-[(1R)-1-[4-[(1E,3E)-6-[(1R,2S,5S)-2,5-dihydroxy-2-methylcyclohexyl]-5-oxohexa-1,3-dienyl]-1,3-thiazol-2-yl]ethyl]acetamide
Structure
SMILES: CC(O)=N[C@H](C)C1=NC(/C=C/C=C/C(=O)C[C@H]2C[C@@H](O)CC[C@]2(C)O)=CS1
InChI: InChI=1S/C20H28N2O4S/c1-13(21-14(2)23)19-22-16(12-27-19)6-4-5-7-17(24)10-15-11-18(25)8-9-20(15,3)26/h4-7,12-13,15,18,25-26H,8-11H2,1-3H3,(H,21,23)/b6-4+,7-5+/t13-,15+,18+,20+/m1/s1
InChIKey: SRGQWBBXQYFQCY-GBQNJEQFSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces atroolivaceus | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 392.5210000000001
TPSA？: 103.01
MolLogP？: 3.621100000000003
Number of H-Donors: 3
Number of H-Acceptors: 6
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|