Sarcoviolin β
AlkaPlorer ID: AK325692
Synonym: None
IUPAC Name: 2-[(5S,11aR)-3-[(2S)-butan-2-yl]-11a-[(2R)-butan-2-yl]-2,4-dihydroxy-5-oxido-1-oxopyrazino[1,2-b][1,4,2]benzodioxazin-5-ium-9-yl]-3,6-dihydroxy-5-(4-hydroxyphenyl)cyclohexa-2,5-diene-1,4-dione
Structure
SMILES: CC[C@@H](C)[C@]12OC3=CC(C4=C(O)C(=O)C(C5=CC=C(O)C=C5)=C(O)C4=O)=CC=C3O[N@@+]1([O-])C(O)=C([C@@H](C)CC)N(O)C2=O
InChI: InChI=1S/C30H30N2O11/c1-5-14(3)23-28(38)32(41)30(15(4)6-2,29(39)31(23)40)42-20-13-17(9-12-19(20)43-32)22-26(36)24(34)21(25(35)27(22)37)16-7-10-18(33)11-8-16/h7-15,33-34,37-38,40H,5-6H2,1-4H3/t14-,15+,30+,32-/m0/s1
InChIKey: HEXAABFDZKPMQT-GBNMDLEBSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Sarcodon leucopus | Sarcodon | Thelephoraceae | Thelephorales | Agaricomycetes | Basidiomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 594.5730000000001
TPSA？: 197.12
MolLogP？: 4.530200000000002
Number of H-Donors: 5
Number of H-Acceptors: 11
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Mus musculus | Liver | IC50 | 27000.0 | nM | 10.1021/np401026b |
| None | NON-PROTEIN TARGET | Activity | 180.0 | U | 10.1021/np401026b |
| None | NON-PROTEIN TARGET | Activity | nan | None | 10.1021/np401026b |
| None | NON-PROTEIN TARGET | EC50 | 18000.0 | nM | 10.1021/np401026b |
| None | Radical scavenging activity | IC50 | 26000.0 | nM | 10.1021/np401026b |
| None | Unchecked | IC50 | 580.0 | nM | 10.1021/np401026b |