159518-77-1
AlkaPlorer ID: AK060311
Synonym: None
IUPAC Name: (1S,2S,3R,11R,14S)-2-hydroxy-3-(1H-indol-3-yl)-18-methyl-14-propan-2-yl-15,16-dithia-10,12,18-triazapentacyclo[12.2.2.01,12.03,11.04,9]octadeca-4,6,8-triene-13,17-dione
Structure
SMILES: CC(C)[C@@]12SS[C@]3(C(=O)N1C)[C@@H](O)[C@]1(C4=CNC5=CC=CC=C45)C4=CC=CC=C4N[C@@H]1N3C2=O
InChI: InChI=1S/C25H24N4O3S2/c1-13(2)24-22(32)29-20-23(15-9-5-7-11-18(15)27-20,16-12-26-17-10-6-4-8-14(16)17)19(30)25(29,34-33-24)21(31)28(24)3/h4-13,19-20,26-27,30H,1-3H3/t19-,20+,23+,24-,25-/m0/s1
InChIKey: GXXLXFUKTNCGPR-MAOFURFTSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Phaeosphaeria fuckelii | Phaeosphaeria | Phaeosphaeriaceae | Pleosporales | Dothideomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 492.62600000000015
TPSA？: 88.66999999999999
MolLogP？: 3.324300000000001
Number of H-Donors: 3
Number of H-Acceptors: 6
RingCount: 8
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| None | Unchecked | IC50 | 28400.0 | nM | 10.1021/acs.jnatprod.0c00046 |
| None | Unchecked | Inhibition | nan | % | 10.1021/acs.jnatprod.0c00046 |