Spliceostatin C
AlkaPlorer ID: AK053573
Synonym: None
IUPAC Name: 2-[(3S,5S,7S)-5-[(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]-1,6-dioxaspiro[2.5]octan-7-yl]acetic acid
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]2C[C@]3(CO3)C[C@@H](CC(=O)O)O2)O[C@@H]1C
InChI: InChI=1S/C28H41NO8/c1-17(6-9-22-14-28(16-34-28)15-23(37-22)13-27(32)33)7-10-25-18(2)12-24(20(4)36-25)29-26(31)11-8-19(3)35-21(5)30/h6-9,11,18-20,22-25H,10,12-16H2,1-5H3,(H,29,31)(H,32,33)/b9-6+,11-8-,17-7+/t18-,19-,20+,22+,23+,24+,25-,28+/m0/s1
InChIKey: QPCQVHMOLDTVHX-LYSKETOYSA-N
Reference
Cytotoxic Spliceostatins from <i>Burkholderia</i> sp. and Their Semisynthetic Analogues
PubChem CID: 90123548
LOTUS: LTS0201026
NPASS: NPC309811
{NPAtlas: NPA003548
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: 519.6350000000003
TPSA？: 127.18000000000002
MolLogP？: 4.316700000000004
Number of H-Donors: 2
Number of H-Acceptors: 7
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | BT-474 | IC50 | 4.8 | nM | 10.1021/np500342m |
| Homo sapiens | MDA-MB-468 | IC50 | 3.4 | nM | 10.1021/np500342m |
| Homo sapiens | NCI-H1975 | IC50 | 3.6 | nM | 10.1021/np500342m |
| Homo sapiens | NCI-N87 | IC50 | 2.0 | nM | 10.1021/np500342m |
| None | NON-PROTEIN TARGET | IC50 | 9.1 | nM | 10.1021/np500342m |
| None | No relevant target | LogD | 0.077 | None | 10.1021/np500342m |