Kansuinin D
AlkaPlorer ID: AK044490
Synonym: None
IUPAC Name: [(1R,2R,4S,5S,6R,7R,9S,10S,11S,13R,15R)-2,5,7,9-tetraacetyloxy-10-benzoyloxy-1-hydroxy-4,12,12,15-tetramethyl-8-methylidene-14-oxo-16-oxatricyclo[11.2.1.02,6]hexadecan-11-yl] pyridine-3-carboxylate
Structure
SMILES: C=C1[C@H](OC(C)=O)[C@@H](OC(=O)C2=CC=CC=C2)[C@@H](OC(=O)C2=CC=CN=C2)C(C)(C)[C@H]2O[C@](O)([C@H](C)C2=O)[C@@]2(OC(C)=O)C[C@H](C)[C@H](OC(C)=O)[C@@H]2[C@H]1OC(C)=O
InChI: InChI=1S/C41H47NO15/c1-20-18-40(56-26(7)46)29(31(20)51-23(4)43)32(52-24(5)44)21(2)33(53-25(6)45)34(54-37(48)27-14-11-10-12-15-27)36(55-38(49)28-16-13-17-42-19-28)39(8,9)35-30(47)22(3)41(40,50)57-35/h10-17,19-20,22,29,31-36,50H,2,18H2,1,3-9H3/t20-,22+,29+,31-,32-,33-,34+,35-,36+,40+,41+/m0/s1
InChIKey: SAPRIFGFGXNNHU-DJLDFQDYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Euphorbia kansui | Euphorbia | Euphorbiaceae | Malpighiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 793.8190000000001
TPSA？: 217.22
MolLogP？: 3.474200000000001
Number of H-Donors: 1
Number of H-Acceptors: 16
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Mus musculus | NIH3T3 | ED50 | 0.22 | ug ml-1 | 10.1021/np030541c |
| Mus musculus | NIH3T3 | ED50 | 0.55 | ug ml-1 | 10.1021/np030541c |