Macrophilone B
AlkaPlorer ID: AK149842
Synonym: None
IUPAC Name: 4-amino-3-(hydroxymethyl)-5-methylsulfinyl-1H-indole-6,7-dione
Structure
SMILES: CS(=O)C1=C(O)C(=O)C2=C(C1=N)C(CO)=CN2
InChI: InChI=1S/C10H10N2O4S/c1-17(16)10-6(11)5-4(3-13)2-12-7(5)8(14)9(10)15/h2,11-13,15H,3H2,1H3
InChIKey: VWEXCYYCEKXZMV-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Macrorhynchia philippina | Macrorhynchia | Aglaopheniidae | Leptothecata | Hydrozoa | Cnidaria | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 254.267
TPSA？: 114.24
MolLogP？: 0.2192700000000002
Number of H-Donors: 4
Number of H-Acceptors: 5
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Small ubiquitin-related modifier 1 | IC50 | 11900.0 | nM | 10.1021/acs.jnatprod.8b00343 |