1-Methoxyspirobrassinol methyl ether
AlkaPlorer ID: AK080308
Synonym: '(-)-1-Methoxyspirobrassinol methyl ether'
IUPAC Name: (2R,3R)-1,2-dimethoxy-2'-methylsulfanylspiro[2H-indole-3,5'-4H-1,3-thiazole]
Structure
SMILES: CO[C@H]1N(OC)C2=CC=CC=C2[C@@]12CN=C(SC)S2
InChI: InChI=1S/C13H16N2O2S2/c1-16-11-13(8-14-12(18-3)19-13)9-6-4-5-7-10(9)15(11)17-2/h4-7,11H,8H2,1-3H3/t11-,13+/m1/s1
InChIKey: KJSKSCBVIGFOKZ-YPMHNXCESA-N
Reference
Antifungal compounds from Dioscorea batatas inoculated with Pseudomonas cichorii
PubChem CID: 10108625
LOTUS: LTS0140678
SuperNatural Ⅲ: SN0187478-01
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Pseudomonas cichorii | Pseudomonas | Pseudomonadaceae | Pseudomonadales | Gammaproteobacteria | Pseudomonadota | None | Bacteria |
Properties Information
Molecule Weight: 296.417
TPSA？: 34.06
MolLogP？: 2.701600000000001
Number of H-Donors: 0
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.2009.03.064 |
| 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.2009.03.064 |
| Homo sapiens | CCRF-CEM | IC50 | 100000.0 | nM | 10.1016/j.bmc.2013.08.020 |
| Homo sapiens | HeLa | IC50 | 48900.0 | nM | 10.1016/j.bmc.2009.03.064 |
| Homo sapiens | HeLa | IC50 | 48900.0 | nM | 10.1016/j.bmc.2013.08.020 |
| Homo sapiens | Jurkat | IC50 | 30200.0 | nM | 10.1016/j.bmc.2009.03.064 |
| Homo sapiens | Jurkat | IC50 | 30200.0 | nM | 10.1016/j.bmc.2013.08.020 |
| Homo sapiens | MCF7 | IC50 | 100000.0 | nM | 10.1016/j.bmc.2009.03.064 |
| 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.2009.03.064 |
| Homo sapiens | MDA-MB-231 | IC50 | 100000.0 | nM | 10.1016/j.bmc.2013.08.020 |