Varacin B Acetate
AlkaPlorer ID: AK150842
Synonym: None
IUPAC Name: N-[2-(6,7-dimethoxy-1-oxo-1lambda4,2,3-benzotrithiol-4-yl)ethyl]acetamide
Structure
SMILES: COC1=CC(CCN=C(C)O)=C2SSS(=O)C2=C1OC
InChI: InChI=1S/C12H15NO4S3/c1-7(14)13-5-4-8-6-9(16-2)10(17-3)12-11(8)18-19-20(12)15/h6H,4-5H2,1-3H3,(H,13,14)
InChIKey: NQQQUNWEPHETKD-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Polycitor | Polycitoridae | Aplousobranchia | Ascidiacea | Chordata | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 333.45600000000013
TPSA？: 68.12
MolLogP？: 2.999200000000001
Number of H-Donors: 1
Number of H-Acceptors: 6
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Candida albicans | Candida albicans | IZ | 20.0 | mm | 10.1021/np50116a015 |