hypoglaunine C
AlkaPlorer ID: AK042703
Synonym: 'Hypoglaunine C', '(+)-Hypoglaunine C'
IUPAC Name: [(1S,3R,17S,18R,19R,20R,21S,22R,23R,24R,25S)-19,21,22,24-tetraacetyloxy-20-(acetyloxymethyl)-14,25-dihydroxy-3,13,14,25-tetramethyl-6,15-dioxo-2,5,16-trioxa-9-azapentacyclo[15.7.1.01,20.03,23.07,12]pentacosa-7(12),8,10-trien-18-yl] benzoate
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=CN=CC=C1C(C)C(C)(O)C(=O)O[C@@H]([C@H](OC(=O)C1=CC=CC=C1)[C@@H]2OC(C)=O)[C@]4(C)O
InChI: InChI=1S/C43H49NO19/c1-20-27-15-16-44-17-28(27)37(51)56-18-39(7)29-30(57-22(3)46)34(59-24(5)48)42(19-55-21(2)45)35(60-25(6)49)31(61-36(50)26-13-11-10-12-14-26)33(62-38(52)40(20,8)53)41(9,54)43(42,63-39)32(29)58-23(4)47/h10-17,20,29-35,53-54H,18-19H2,1-9H3/t20?,29-,30-,31+,32-,33+,34-,35+,39+,40?,41+,42-,43+/m1/s1
InChIKey: MOTYOVLJDKAHIA-SWFKUUAOSA-N
Reference
Structures of sesquiterpene polyol alkaloids from Tripterygium hypoglaucum
PubChem CID: 44584754
LOTUS: LTS0214274
NPASS: NPC328154
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Tripterygium hypoglaucum | Tripterygium | Celastraceae | Celastrales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 883.8530000000004
TPSA？: 272.98
MolLogP？: 1.4423000000000037
Number of H-Donors: 2
Number of H-Acceptors: 20
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | PBMC | Inhibition | -28.0 | % | 10.1021/np000504a |
| Homo sapiens | PBMC | Inhibition | -26.0 | % | 10.1021/np000504a |
| Homo sapiens | PBMC | Inhibition | 2.0 | % | 10.1021/np000504a |
| Homo sapiens | PBMC | Inhibition | 20.0 | % | 10.1021/np000504a |
| Homo sapiens | PBMC | Inhibition | 51.0 | % | 10.1021/np000504a |
| Homo sapiens | PBMC | Inhibition | 57.0 | % | 10.1021/np000504a |