Cetoniacytone A
AlkaPlorer ID: AK013050
Synonym: None
IUPAC Name: N-[(1R,2S,6R)-2-hydroxy-6-(hydroxymethyl)-5-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]acetamide
Structure
SMILES: CC(O)=NC1=CC(=O)[C@]2(CO)O[C@@H]2[C@H]1O
InChI: InChI=1S/C9H11NO5/c1-4(12)10-5-2-6(13)9(3-11)8(15-9)7(5)14/h2,7-8,11,14H,3H2,1H3,(H,10,12)/t7-,8+,9-/m0/s1
InChIKey: JYYJQJKNUQRQSW-YIZRAAEISA-N
Reference
PubChem CID: 10465793
CAS: 496775-48-5
LOTUS: LTS0085074
SuperNatural Ⅲ: SN0179104-01
{NPAtlas: NPA014963
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Actinomyces sp. | Actinomyces | Actinomycetaceae | Actinomycetales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 213.189
TPSA？: 102.65
MolLogP？: -1.0798
Number of H-Donors: 3
Number of H-Acceptors: 5
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|