Phaeosphaone A
AlkaPlorer ID: AK327401
Synonym: None
IUPAC Name: (1S,4S)-1-[(S)-hydroxy(1H-indol-3-yl)methyl]-5-methyl-4-propan-2-yl-2,3-dithia-5,7-diazabicyclo[2.2.2]octane-6,8-dione
Structure
SMILES: CC(C)[C@]12SS[C@]([C@@H](O)C3=CNC4=CC=CC=C34)(NC1=O)C(=O)N2C
InChI: InChI=1S/C17H19N3O3S2/c1-9(2)17-14(22)19-16(24-25-17,15(23)20(17)3)13(21)11-8-18-12-7-5-4-6-10(11)12/h4-9,13,18,21H,1-3H3,(H,19,22)/t13-,16-,17-/m0/s1
InChIKey: RALMSQWXLMSAHR-JQFCIGGWSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Phaeosphaeria fuckelii | Phaeosphaeria | Phaeosphaeriaceae | Pleosporales | Dothideomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 377.49100000000016
TPSA？: 85.42999999999999
MolLogP？: 2.2330999999999994
Number of H-Donors: 3
Number of H-Acceptors: 5
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|