Hyponine F
AlkaPlorer ID: AK008464
Synonym: None
IUPAC Name: [(1S,3R,17S,18R,19R,20R,21S,22R,23R,24R,25S)-19,21,22,24-tetraacetyloxy-20-(acetyloxymethyl)-25-hydroxy-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-18-yl] furan-2-carboxylate
Structure
SMILES: CC(=O)OC[C@]12[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]3[C@@H](OC(C)=O)[C@@]14O[C@@]3(C)COC(=O)C1=CC=CN=C1C(C)C(C)C(=O)O[C@@H]([C@H](OC(=O)C1=CC=CO1)[C@@H]2OC(C)=O)[C@]4(C)O
InChI: InChI=1S/C41H47NO19/c1-18-19(2)35(48)60-32-30(59-37(50)26-13-11-15-52-26)34(58-24(7)47)40(17-53-20(3)43)33(57-23(6)46)29(55-21(4)44)27-31(56-22(5)45)41(40,39(32,9)51)61-38(27,8)16-54-36(49)25-12-10-14-42-28(18)25/h10-15,18-19,27,29-34,51H,16-17H2,1-9H3/t18?,19?,27-,29-,30+,31-,32+,33-,34+,38+,39+,40-,41+/m1/s1
InChIKey: ALJJHPQWUBVQNM-KSTPHJKESA-N
Reference
Sesquiterpene evoninate alkaloids from Tripterygium hypoglaucum
PubChem CID: 44583773
LOTUS: LTS0235963
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Tripterygium wilfordii | Tripterygium | Celastraceae | Celastrales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 857.8150000000004
TPSA？: 265.89
MolLogP？: 1.920400000000002
Number of H-Donors: 1
Number of H-Acceptors: 20
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | H9 | IC50 | 100.0 | ug.mL-1 | 10.1021/np060124a |
| Homo sapiens | H9 | IC50 | 100.0 | ug.mL-1 | 10.1021/np990281s |
| Human immunodeficiency virus 1 | Human immunodeficiency virus 1 | EC50 | 35.2 | ug.mL-1 | 10.1021/np060124a |
| Human immunodeficiency virus 1 | Human immunodeficiency virus 1 | EC50 | 35.2 | ug.mL-1 | 10.1021/np990281s |
| None | ADMET | Ratio IC50/EC50 | 2.8 | None | 10.1021/np060124a |
| None | ADMET | Ratio IC50/EC50 | 2.84 | None | 10.1021/np990281s |