Eutypellazine B
AlkaPlorer ID: AK139725
Synonym: None
IUPAC Name: (1R,4S,5S,11R,14S,15R,16R,18S,19R)-5,15,18-trihydroxy-11-methylsulfanyl-21-thia-3,13-diazahexacyclo[14.4.1.01,13.03,11.04,9.014,19]henicosa-6,8-diene-2,12-dione
Structure
SMILES: CS[C@@]12CC3=CC=C[C@H](O)[C@H]3N1C(=O)[C@@]13C[C@@H]4[C@@H]([C@@H](O)[C@@H](C[C@@H]4O)S1)N3C2=O
InChI: InChI=1S/C19H22N2O5S2/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/h2-4,9-15,22-24H,5-7H2,1H3/t9-,10-,11-,12+,13-,14-,15-,18+,19+/m0/s1
InChIKey: GYXDEGFLWPXLBO-DXXLCSEDSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Eutypella sp. | Eutypella | Diatrypaceae | Xylariales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 422.5280000000001
TPSA？: 101.31
MolLogP？: -0.3284000000000004
Number of H-Donors: 3
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 |