Exiguaquinol
AlkaPlorer ID: AK031460
Synonym: '', 'exiguaquinol'
IUPAC Name: 2-[(2S,6R,7R,10R)-7,15-dihydroxy-2-methyl-5,9,11-trioxo-18-sulfooxy-8-azapentacyclo[10.8.0.02,10.06,10.014,19]icosa-1(20),12,14,16,18-pentaen-8-yl]ethanesulfonic acid
Structure
SMILES: C[C@@]12CCC(=O)[C@H]3[C@@H](O)N(CCS(=O)(=O)O)C(=O)[C@]31C(=O)C1=CC3=C(O)C=CC(OS(=O)(=O)O)=C3C=C12
InChI: InChI=1S/C22H21NO12S2/c1-21-5-4-15(25)17-19(27)23(6-7-36(29,30)31)20(28)22(17,21)18(26)12-8-10-11(9-13(12)21)16(3-2-14(10)24)35-37(32,33)34/h2-3,8-9,17,19,24,27H,4-7H2,1H3,(H,29,30,31)(H,32,33,34)/t17-,19+,21-,22+/m0/s1
InChIKey: VKBAQAIYPKZCSM-OZROYSPXSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Neopetrosia exigua | Neopetrosia | Petrosiidae | Haplosclerida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 555.5390000000002
TPSA？: 212.88
MolLogP？: 0.1949000000000006
Number of H-Donors: 4
Number of H-Acceptors: 10
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|