Wilfornine F
AlkaPlorer ID: AK001213
Synonym: None
IUPAC Name: [(1S,3R,17S,18R,19R,20S,21S,22R,23R,24R,25S)-19,21,22-triacetyloxy-20-(acetyloxymethyl)-18,25-dihydroxy-3,13,14,25-tetramethyl-6,15-dioxo-2,5,16-trioxa-11-azapentacyclo[15.7.1.01,20.03,23.07,12]pentacosa-7(12),8,10-trien-24-yl] benzoate
Structure
SMILES: CC1C(C(=O)O[C@H]2[C@@H]([C@@H]([C@]3([C@@H]([C@@H]([C@@H]4[C@H]([C@@]3([C@@]2(C)O)O[C@]4(COC(=O)C5=C1N=CC=C5)C)OC(=O)C6=CC=CC=C6)OC(=O)C)OC(=O)C)COC(=O)C)OC(=O)C)O)C
InChI: InChI=1S/C41H47NO17/c1-19-20(2)35(48)58-32-29(47)33(55-23(5)45)40(18-52-21(3)43)34(56-24(6)46)30(54-22(4)44)27-31(57-36(49)25-13-10-9-11-14-25)41(40,39(32,8)51)59-38(27,7)17-53-37(50)26-15-12-16-42-28(19)26/h9-16,19-20,27,29-34,47,51H,17-18H2,1-8H3/t19?,20?,27-,29+,30-,31-,32+,33+,34-,38+,39+,40+,41+/m1/s1
InChIKey: XQNQTIUIVUUUGE-KDVPORLVSA-N
Reference
PubChem CID: 11018275
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Tripterygium wilfordii | Tripterygium | Celastraceae | Celastrales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 825.8170000000002
TPSA？: 246.67999999999992
MolLogP？: 1.7566000000000008
Number of H-Donors: 2
Number of H-Acceptors: 18
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | PBMC | Inhibition | None | % | 10.1021/np000504a |