None
AlkaPlorer ID: AK323765
Synonym: None
IUPAC Name: (1S,4S)-1-[(S)-hydroxy(1H-indol-3-yl)methyl]-5-methyl-4-propan-2-yl-2,3-dithia-5-azabicyclo[2.2.2]octane-6,8-dione
Structure
SMILES: CC(C)[C@]12SS[C@]([C@@H](O)C3=CNC4=CC=CC=C34)(CC1=O)C(=O)N2C
InChI: InChI=1S/C18H20N2O3S2/c1-10(2)18-14(21)8-17(24-25-18,16(23)20(18)3)15(22)12-9-19-13-7-5-4-6-11(12)13/h4-7,9-10,15,19,22H,8H2,1-3H3/t15-,17-,18-/m0/s1
InChIKey: PVSYNDDOFMBNFC-SZMVWBNQSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Phaeosphaeria fuckelii | Phaeosphaeria | Phaeosphaeriaceae | Pleosporales | Dothideomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 376.5030000000002
TPSA？: 73.39999999999999
MolLogP？: 3.1186000000000016
Number of H-Donors: 2
Number of H-Acceptors: 5
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| None | Unchecked | Inhibition | None | % | 10.1021/acs.jnatprod.0c00046 |