Delelatine
AlkaPlorer ID: AK018158
Synonym: ''
IUPAC Name: (1S,2R,3R,4S,5S,6S,8R,12R,16R,19S,20R,21S)-14-ethyl-6,19-dimethoxy-16-methyl-9,11-dioxa-14-azaheptacyclo[10.7.2.12,5.01,13.03,8.08,12.016,20]docosane-4,21-diol
Structure
SMILES: CCN1C[C@]2(C)CC[C@H](OC)[C@@]34C1[C@@]1(OCO[C@@]15C[C@H](OC)[C@H]1C[C@@H]3[C@@H]5[C@H]1O)[C@@H](O)[C@H]24
InChI: InChI=1S/C24H37NO6/c1-5-25-10-21(2)7-6-15(29-4)23-13-8-12-14(28-3)9-22(16(13)17(12)26)24(20(23)25,31-11-30-22)19(27)18(21)23/h12-20,26-27H,5-11H2,1-4H3/t12-,13-,14+,15+,16-,17+,18-,19+,20?,21+,22-,23+,24+/m1/s1
InChIKey: RLBOHEVJVBXZQZ-AAEPWEEPSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Delphinium elatum | Delphinium | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 435.56100000000015
TPSA？: 80.62
MolLogP？: 1.010100000000001
Number of H-Donors: 2
Number of H-Acceptors: 7
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | A549 | EC50 | 20000.0 | nM | 10.1016/j.bmcl.2011.11.026 |
| Homo sapiens | A549 | GI50 | 20000.0 | nM | 10.1016/j.bmcl.2015.02.018 |
| Homo sapiens | DU-145 | EC50 | 20000.0 | nM | 10.1016/j.bmcl.2011.11.026 |
| Homo sapiens | DU-145 | GI50 | 20000.0 | nM | 10.1016/j.bmcl.2015.02.018 |
| Homo sapiens | KB | EC50 | 20000.0 | nM | 10.1016/j.bmcl.2011.11.026 |
| Homo sapiens | KB | GI50 | 20000.0 | nM | 10.1016/j.bmcl.2015.02.018 |
| None | NON-PROTEIN TARGET | GI50 | 20000.0 | nM | 10.1016/j.bmcl.2015.02.018 |
| None | NON-PROTEIN TARGET | IC50 | 1100000.0 | nM | 10.1021/np070270w |
| None | Unchecked | RatioGI50 | 20.0 | None | 10.1016/j.bmcl.2015.02.018 |