Spliceostatin E
AlkaPlorer ID: AK071305
Synonym: None
IUPAC Name: [(Z,2S)-5-[[(2R,3R,5S,6S)-2,5-dimethyl-6-[(2E,4E)-3-methyl-5-[(2S)-4-methyl-6-oxo-2,3-dihydropyran-2-yl]penta-2,4-dienyl]oxan-3-yl]amino]-5-oxopent-3-en-2-yl] acetate
Structure
SMILES: CC(=O)O[C@@H](C)/C=C\C(O)=N[C@@H]1C[C@H](C)[C@H](C/C=C(C)/C=C/[C@@H]2CC(C)=CC(=O)O2)O[C@@H]1C
InChI: InChI=1S/C26H37NO6/c1-16(7-10-22-13-17(2)14-26(30)33-22)8-11-24-18(3)15-23(20(5)32-24)27-25(29)12-9-19(4)31-21(6)28/h7-10,12,14,18-20,22-24H,11,13,15H2,1-6H3,(H,27,29)/b10-7+,12-9-,16-8+/t18-,19-,20+,22+,23+,24-/m0/s1
InChIKey: CDYGVGCTHMNLJY-FLMQFJOVSA-N
Reference
Cytotoxic Spliceostatins from <i>Burkholderia</i> sp. and Their Semisynthetic Analogues
PubChem CID: 90123658
LOTUS: LTS0221855
NPASS: NPC244342
{NPAtlas: NPA018285
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Burkholderia sp. | Burkholderia | Burkholderiaceae | Burkholderiales | Betaproteobacteria | Pseudomonadota | None | Bacteria |
| Burkholderia sp. FERM BP-3421 | Burkholderia | Burkholderiaceae | Burkholderiales | Betaproteobacteria | Pseudomonadota | None | Bacteria |
Properties Information
Molecule Weight: 459.58300000000025
TPSA？: 94.42000000000002
MolLogP？: 4.787200000000005
Number of H-Donors: 1
Number of H-Acceptors: 6
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | BT-474 | IC50 | 3.72 | nM | 10.1021/np500342m |
| Homo sapiens | MDA-MB-468 | IC50 | 1.56 | nM | 10.1021/np500342m |
| Homo sapiens | NCI-H1975 | IC50 | nan | None | 10.1021/np500342m |
| Homo sapiens | NCI-N87 | IC50 | 3.67 | nM | 10.1021/np500342m |
| None | NON-PROTEIN TARGET | IC50 | 4.16 | nM | 10.1021/np500342m |