Euphosalicin
AlkaPlorer ID: AK049485
Synonym: None
IUPAC Name: [(1S,2R,4R,6R,7R,9E,11R,13R,15R,16R)-2,4,7,13,16-pentaacetyloxy-7,11,15-trimethyl-3-methylidene-12-oxo-15-(pyridine-3-carbonyloxy)-6-bicyclo[11.3.0]hexadec-9-enyl] pyridine-3-carboxylate
Structure
SMILES: C=C1[C@H](OC(C)=O)C[C@@H](OC(=O)C2=CC=CN=C2)[C@](C)(OC(C)=O)C/C=C/[C@@H](C)C(=O)[C@@]2(OC(C)=O)C[C@@](C)(OC(=O)C3=CC=CN=C3)[C@H](OC(C)=O)[C@@H]2[C@H]1OC(C)=O
InChI: InChI=1S/C42H48N2O15/c1-23-13-10-16-40(8,57-28(6)48)33(56-38(51)30-14-11-17-43-20-30)19-32(53-25(3)45)24(2)35(54-26(4)46)34-37(55-27(5)47)41(9,22-42(34,36(23)50)58-29(7)49)59-39(52)31-15-12-18-44-21-31/h10-15,17-18,20-21,23,32-35,37H,2,16,19,22H2,1,3-9H3/b13-10+/t23-,32-,33-,34+,35+,37-,40-,41-,42-/m1/s1
InChIKey: VCNSIDRPGQLVOC-XQFXQYKMSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Euphorbia salicifolia | Euphorbia | Euphorbiaceae | Malpighiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 820.8450000000003
TPSA？: 226.95
MolLogP？: 4.167800000000003
Number of H-Donors: 0
Number of H-Acceptors: 17
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | HeLa | GI | 14.5 | % | 10.1021/np200202h |
| Homo sapiens | HeLa | GI | 18.1 | % | 10.1021/np200202h |
| Homo sapiens | Ishikawa | GI | 0.9 | % | 10.1021/np200202h |
| Homo sapiens | Ishikawa | GI | 7.6 | % | 10.1021/np200202h |
| Homo sapiens | MCF7 | GI | 6.3 | % | 10.1021/np200202h |
| Homo sapiens | MCF7 | GI | 20.0 | % | 10.1021/np200202h |
| Homo sapiens | P-glycoprotein 1 | Ratio | 1.9 | None | 10.1021/np200202h |
| Homo sapiens | P-glycoprotein 1 | Ratio | 12.3 | None | 10.1021/np200202h |