Phellodonin
AlkaPlorer ID: AK325809
Synonym: None
IUPAC Name: [3-[(5S,11aR)-3,11a-bis[(2S)-butan-2-yl]-4-hydroxy-2-methoxy-5-oxido-1-oxopyrazino[1,2-b][1,4,2]benzodioxazin-5-ium-9-yl]-2,4,5-triacetyloxy-6-(4-hydroxyphenyl)phenyl] acetate
Structure
SMILES: CC[C@H](C)C1=C(O)[N@+]2([O-])OC3=CC=C(C4=C(OC(C)=O)C(OC(C)=O)=C(C5=CC=C(O)C=C5)C(OC(C)=O)=C4OC(C)=O)C=C3O[C@]2([C@@H](C)CC)C(=O)N1OC
InChI: InChI=1S/C39H42N2O15/c1-10-19(3)32-37(47)41(49)39(20(4)11-2,38(48)40(32)50-9)55-29-18-26(14-17-28(29)56-41)31-35(53-23(7)44)33(51-21(5)42)30(25-12-15-27(46)16-13-25)34(52-22(6)43)36(31)54-24(8)45/h12-20,46-47H,10-11H2,1-9H3/t19-,20-,39+,41-/m0/s1
InChIKey: HTWYTTYCIDLWSF-RKFXEXHDSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Phellodon niger | Phellodon | Thelephoraceae | Thelephorales | Agaricomycetes | Basidiomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 778.764
TPSA？: 216.72
MolLogP？: 6.347400000000006
Number of H-Donors: 2
Number of H-Acceptors: 15
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|