Eutypellazine A
AlkaPlorer ID: AK139717
Synonym: None
IUPAC Name: (1R,4S,5S,11R,14S,15R,16R,19R)-5,15-dihydroxy-11-methylsulfanyl-21-thia-3,13-diazahexacyclo[14.4.1.01,13.03,11.04,9.014,19]henicosa-6,8-diene-2,12,18-trione
Structure
SMILES: CS[C@@]12CC3=CC=C[C@H](O)[C@H]3N1C(=O)[C@@]13C[C@H]4C(=O)C[C@@H](S1)[C@H](O)[C@H]4N3C2=O
InChI: InChI=1S/C19H20N2O5S2/c1-27-18-6-8-3-2-4-10(22)13(8)20(18)17(26)19-7-9-11(23)5-12(28-19)15(24)14(9)21(19)16(18)25/h2-4,9-10,12-15,22,24H,5-7H2,1H3/t9-,10-,12+,13-,14-,15-,18+,19+/m0/s1
InChIKey: WOGNSAFTZOQNFX-XRRZBRONSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Eutypella sp. | Eutypella | Diatrypaceae | Xylariales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 420.5120000000001
TPSA？: 98.15
MolLogP？: -0.1202
Number of H-Donors: 2
Number of H-Acceptors: 7
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Human immunodeficiency virus | Human immunodeficiency virus | IC50 | 10000.0 | nM | 10.1021/acs.jnatprod.9b01283 |