A26771A
AlkaPlorer ID: AK076976
Synonym: '', '51920-94-6', '40380-24-3', 'Hyalodendrin', 'A26771A'
IUPAC Name: (1S,4S)-1-benzyl-4-(hydroxymethyl)-5,7-dimethyl-2,3-dithia-5,7-diazabicyclo[2.2.2]octane-6,8-dione
Structure
SMILES: CN1C(=O)[C@]2(CC3=CC=CC=C3)SS[C@@]1(CO)C(=O)N2C
InChI: InChI=1S/C14H16N2O3S2/c1-15-12(19)14(9-17)16(2)11(18)13(15,20-21-14)8-10-6-4-3-5-7-10/h3-7,17H,8-9H2,1-2H3/t13-,14-/m0/s1
InChIKey: SJRIMIDQFZMJPZ-KBPBESRZSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | None | Euplectellidae | Lyssacinosida | Hexactinellida | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 324.4270000000001
TPSA？: 60.85000000000001
MolLogP？: 0.9393999999999996
Number of H-Donors: 1
Number of H-Acceptors: 5
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| None | Unchecked | Activity | 74.0 | % | 10.1016/j.bmc.2019.07.047 |