Spirobrassinol; N-Methoxy
AlkaPlorer ID: AK313991
Synonym: N-Methoxyspirobrassinol
IUPAC Name: 1-methoxy-2'-methylsulfanylspiro[2H-indole-3,5'-4H-1,3-thiazole]-2-ol
Structure
SMILES: CON1C2=CC=CC=C2C2(CN=C(SC)S2)C1O
InChI: InChI=1S/C12H14N2O2S2/c1-16-14-9-6-4-3-5-8(9)12(10(14)15)7-13-11(17-2)18-12/h3-6,10,15H,7H2,1-2H3
InChIKey: YMIMEAOCSJOCSI-UHFFFAOYSA-N
Reference
Antifungal compounds from Dioscorea batatas inoculated with Pseudomonas cichorii
PubChem CID: 10265811
LOTUS: LTS0115517
COCONUT: CNP0146472.2
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Pseudomonas cichorii | Pseudomonas | Pseudomonadaceae | Pseudomonadales | Gammaproteobacteria | Pseudomonadota | None | Bacteria |
Properties Information
Molecule Weight: 282.39
TPSA？: 45.06
MolLogP？: 2.0475
Number of H-Donors: 1
Number of H-Acceptors: 6
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | A549 | IC50 | 100000.0 | nM | 10.1016/j.bmc.2013.08.020 |
| Homo sapiens | CCRF-CEM | IC50 | 100000.0 | nM | 10.1016/j.bmc.2013.08.020 |
| Homo sapiens | HeLa | IC50 | 100000.0 | nM | 10.1016/j.bmc.2013.08.020 |
| Homo sapiens | Jurkat | IC50 | 100000.0 | nM | 10.1016/j.bmc.2013.08.020 |
| Homo sapiens | MCF7 | IC50 | 100000.0 | nM | 10.1016/j.bmc.2013.08.020 |
| Homo sapiens | MDA-MB-231 | IC50 | 100000.0 | nM | 10.1016/j.bmc.2013.08.020 |