Wilformine
AlkaPlorer ID: AK004717
Synonym: None
IUPAC Name: [(1S,3R,15S,18S,19R,20R,21R,22S,23R,24R,25R,26S)-19,20,22,23,25-pentaacetyloxy-26-hydroxy-3,15,26-trimethyl-6,16-dioxo-2,5,17-trioxa-11-azapentacyclo[16.7.1.01,21.03,24.07,12]hexacosa-7(12),8,10-trien-21-yl]methyl acetate
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=C1CC[C@H](C)C(=O)O[C@@H]([C@H](OC(C)=O)[C@@H]2OC(C)=O)[C@]4(C)O
InChI: InChI=1S/C38H47NO18/c1-17-12-13-25-24(11-10-14-39-25)34(47)50-15-35(8)26-27(51-19(3)41)31(54-22(6)44)37(16-49-18(2)40)32(55-23(7)45)28(52-20(4)42)30(56-33(17)46)36(9,48)38(37,57-35)29(26)53-21(5)43/h10-11,14,17,26-32,48H,12-13,15-16H2,1-9H3/t17-,26+,27+,28-,29+,30-,31+,32-,35-,36-,37+,38-/m0/s1
InChIKey: QIHHQEWWGMEJTH-VWEYKOQISA-N
Reference
Sesquiterpene Alkaloids from Extracts of Tripterygium wilfordii.
PubChem CID: 44584752
LOTUS: LTS0183309
SuperNatural Ⅲ: SN0306183-12
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Tripterygium hypoglaucum | Tripterygium | Celastraceae | Celastrales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 805.7830000000002
TPSA？: 252.75
MolLogP？: 0.8626000000000049
Number of H-Donors: 1
Number of H-Acceptors: 19
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | PBMC | Inhibition | 14.0 | % | 10.1021/np000504a |
| Homo sapiens | PBMC | Inhibition | 20.0 | % | 10.1021/np000504a |
| Homo sapiens | PBMC | Inhibition | 50.0 | % | 10.1021/np000504a |
| Homo sapiens | PBMC | Inhibition | 60.0 | % | 10.1021/np000504a |
| Homo sapiens | PBMC | Inhibition | 71.0 | % | 10.1021/np000504a |
| Homo sapiens | PBMC | Inhibition | 77.0 | % | 10.1021/np000504a |
| Human alphaherpesvirus 2 | Human alphaherpesvirus 2 | Inhibition | nan | % | 10.1021/np200493t |