Spliceostatin B
AlkaPlorer ID: AK071297
Synonym: None
IUPAC Name: 2-[(2S,6S)-6-[(1E,3E)-5-[(2S,3S,5R,6R)-5-[[(Z,4S)-4-acetyloxypent-2-enoyl]amino]-3,6-dimethyloxan-2-yl]-3-methylpenta-1,3-dienyl]-4-methylideneoxan-2-yl]acetic acid
Structure
SMILES: C=C1C[C@@H](CC(=O)O)O[C@H](/C=C/C(C)=C/C[C@@H]2O[C@H](C)[C@H](N=C(O)/C=C\[C@H](C)OC(C)=O)C[C@@H]2C)C1
InChI: InChI=1S/C28H41NO7/c1-17(7-10-23-13-18(2)14-24(36-23)16-28(32)33)8-11-26-19(3)15-25(21(5)35-26)29-27(31)12-9-20(4)34-22(6)30/h7-10,12,19-21,23-26H,2,11,13-16H2,1,3-6H3,(H,29,31)(H,32,33)/b10-7+,12-9-,17-8+/t19-,20-,21+,23+,24-,25+,26-/m0/s1
InChIKey: LJUNMKJIHDBQKE-UKFUWTCXSA-N
Reference
Cytotoxic Spliceostatins from <i>Burkholderia</i> sp. and Their Semisynthetic Analogues
PubChem CID: 72696702
LOTUS: LTS0012249
NPASS: NPC192677
{NPAtlas: NPA011511
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: 503.6360000000003
TPSA？: 114.65
MolLogP？: 5.103900000000005
Number of H-Donors: 2
Number of H-Acceptors: 6
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | BT-474 | IC50 | nan | None | 10.1021/np500342m |
| Homo sapiens | MDA-MB-468 | IC50 | nan | None | 10.1021/np500342m |
| Homo sapiens | NCI-H1975 | IC50 | 30.0 | nM | 10.1021/np500342m |
| Homo sapiens | NCI-N87 | IC50 | nan | None | 10.1021/np500342m |
| None | NON-PROTEIN TARGET | IC50 | nan | None | 10.1021/np500342m |