Sarcodonin
AlkaPlorer ID: AK318720
Synonym: None
IUPAC Name: [4-[4-[(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]-2,3-diacetyloxy-5,6-dihydroxyphenyl]phenyl] acetate
Structure
SMILES: CC[C@@H](C)[C@]12OC3=CC(C4=C(O)C(O)=C(C5=CC=C(OC(C)=O)C=C5)C(OC(C)=O)=C4OC(C)=O)=CC=C3O[N+]1([O-])C(O)=C([C@@H](C)CC)N(O)C2=O
InChI: InChI=1S/C36H38N2O14/c1-8-17(3)29-34(44)38(47)36(18(4)9-2,35(45)37(29)46)51-26-16-23(12-15-25(26)52-38)28-31(43)30(42)27(22-10-13-24(14-11-22)48-19(5)39)32(49-20(6)40)33(28)50-21(7)41/h10-18,42-44,46H,8-9H2,1-7H3/t17-,18+,36+,38?/m0/s1
InChIKey: ULLCSSTZNGODKE-FPIRXGCNSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Sarcodon leucopus | Sarcodon | Thelephoraceae | Thelephorales | Agaricomycetes | Basidiomycota | Fungi | Eukaryota |
| Hydnum repandum | Hydnum | Hydnaceae | Cantharellales | Agaricomycetes | Basidiomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 722.7000000000002
TPSA？: 221.65
MolLogP？: 5.955500000000007
Number of H-Donors: 4
Number of H-Acceptors: 14
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | KB | ED50 | 10.0 | ug ml-1 | 10.1021/np990293d |
| Mus musculus | P388 | ED50 | 27.0 | ug ml-1 | 10.1021/np990293d |