Scedapin C
AlkaPlorer ID: AK109286
Synonym: None
IUPAC Name: (3'aS,11R,13S,15R)-15-hydroxy-2',2',16,16-tetramethyl-3'-methylsulfonylspiro[14-oxa-2,10-diazatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3,5,7-tetraene-13,4'-3aH-imidazo[1,2-a]indole]-1',9,17-trione
Structure
SMILES: CC1(C)C(=O)N2C3=CC=CC=C3[C@@]3(C[C@H]4N5C(=NC6=CC=CC=C6C5=O)C(=O)C(C)(C)[C@@]4(O)O3)[C@@H]2N1S(C)(=O)=O
InChI: InChI=1S/C28H28N4O7S/c1-25(2)20(33)21-29-17-12-8-6-10-15(17)22(34)31(21)19-14-27(39-28(19,25)36)16-11-7-9-13-18(16)30-23(27)32(40(5,37)38)26(3,4)24(30)35/h6-13,19,23,36H,14H2,1-5H3/t19-,23+,27+,28+/m1/s1
InChIKey: OHMCPFVLPZTNSW-OHRJOTIESA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Scedosporium apiospermum | Scedosporium | Microascaceae | Microascales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 564.6200000000002
TPSA？: 139.11
MolLogP？: 1.891
Number of H-Donors: 1
Number of H-Acceptors: 9
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Hepacivirus hominis | Hepatitis C virus | EC50 | 110350.0 | nM | 10.1016/j.bmc.2021.116366 |
| Hepacivirus hominis | Hepatitis C virus | EC50 | 110350.0 | nM | 10.1016/j.ejmech.2020.112945 |