Adociaquinone B
AlkaPlorer ID: AK283357
Synonym: None
IUPAC Name: 1-methyl-7,7-dioxo-18-oxa-7lambda6-thia-10-azahexacyclo[15.6.1.02,15.04,13.06,11.020,24]tetracosa-2(15),3,6(11),13,17(24),19-hexaene-5,12,16-trione
Structure
SMILES: CC12CCCC3=COC(=C31)C(=O)C1=CC3=C(C=C12)C(=O)C1=C(NCCS1(=O)=O)C3=O
InChI: InChI=1S/C22H17NO6S/c1-22-4-2-3-10-9-29-20(15(10)22)18(25)13-7-11-12(8-14(13)22)19(26)21-16(17(11)24)23-5-6-30(21,27)28/h7-9,23H,2-6H2,1H3
InChIKey: KJMXEMKLXNMFIG-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Xestospongia | Petrosiidae | Haplosclerida | Demospongiae | Porifera | Metazoa | Eukaryota |
| None | Xestospongia | Petrosiidae | Haplosclerida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 423.4460000000002
TPSA？: 110.51999999999998
MolLogP？: 2.0749
Number of H-Donors: 1
Number of H-Acceptors: 7
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|