Conithiaquinone A; Me ether
AlkaPlorer ID: AK292920
Synonym: Conithiaquinone B
IUPAC Name: 9,10-dimethoxy-6,6,9-trimethyl-1,1-dioxo-2,3,4,6a,7,8,9a,10-octahydroindeno[5,6-g][1,4]benzothiazine-5,11-dione
Structure
SMILES: COC1C2=C(C(=O)C3=C(C2=O)S(=O)(=O)CCN3)C(C)(C)C2CCC(C)(OC)C12
InChI: InChI=1S/C20H27NO6S/c1-19(2)10-6-7-20(3,27-5)12(10)17(26-4)11-13(19)16(23)14-18(15(11)22)28(24,25)9-8-21-14/h10,12,17,21H,6-9H2,1-5H3
InChIKey: ZTZWYSPNHVXCJT-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aplidium conicum | Aplidium | Polyclinidae | Aplousobranchia | Ascidiacea | Chordata | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 409.50400000000025
TPSA？: 98.77
MolLogP？: 1.1505
Number of H-Donors: 1
Number of H-Acceptors: 7
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|