Aplidinone A
AlkaPlorer ID: AK073189
Synonym: None
IUPAC Name: 6-(3,7-dimethylocta-2,6-dienyl)-7-methoxy-1,1-dioxo-3,4-dihydro-2H-1lambda6,4-benzothiazine-5,8-dione
Structure
SMILES: COC1=C(CC=C(C)CCC=C(C)C)C(=O)C2=C(C1=O)S(=O)(=O)CCN2
InChI: InChI=1S/C19H25NO5S/c1-12(2)6-5-7-13(3)8-9-14-16(21)15-19(17(22)18(14)25-4)26(23,24)11-10-20-15/h6,8,20H,5,7,9-11H2,1-4H3
InChIKey: MTOMQQYCVUGPRP-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aplidium conicum | Aplidium | Polyclinidae | Aplousobranchia | Ascidiacea | Chordata | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 379.4780000000001
TPSA？: 89.54
MolLogP？: 2.3511
Number of H-Donors: 1
Number of H-Acceptors: 6
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|