Adociaquinone A; 3-Oxo
AlkaPlorer ID: AK283356
Synonym: 3-Oxoadociaquinone A, 3-Ketoadociaquinone A
IUPAC Name: 1-methyl-10,10-dioxo-18-oxa-10lambda6-thia-7-azahexacyclo[15.6.1.02,15.04,13.06,11.020,24]tetracosa-2(15),3,6(11),13,17(24),19-hexaene-5,12,16,21-tetrone
Structure
SMILES: CC12CCC(=O)C3=COC(=C31)C(=O)C1=CC3=C(C=C12)C(=O)C1=C(C3=O)S(=O)(=O)CCN1
InChI: InChI=1S/C22H15NO7S/c1-22-3-2-14(24)12-8-30-20(15(12)22)18(26)11-6-9-10(7-13(11)22)17(25)16-21(19(9)27)31(28,29)5-4-23-16/h6-8,23H,2-5H2,1H3
InChIKey: DYNWJTLTTJEPPR-UHFFFAOYSA-N
Reference
New bioactive halenaquinone derivatives from South Pacific marine sponges of the genus Xestospongia
PubChem CID: 14133654
LOTUS: LTS0182542
COCONUT: CNP0286773.2
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Xestospongia testudinaria | Xestospongia | Petrosiidae | Haplosclerida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 437.4290000000002
TPSA？: 127.58999999999996
MolLogP？: 1.7151
Number of H-Donors: 1
Number of H-Acceptors: 8
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|