Spliceostatin F
AlkaPlorer ID: AK045594
Synonym: None
IUPAC Name: 2-[(2S,4S,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-(chloromethyl)-4-hydroxyoxan-2-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@](O)(CCl)C[C@@H](CC(=O)O)O2)O[C@@H]1C
InChI: InChI=1S/C28H42ClNO8/c1-17(6-9-22-14-28(35,16-29)15-23(38-22)13-27(33)34)7-10-25-18(2)12-24(20(4)37-25)30-26(32)11-8-19(3)36-21(5)31/h6-9,11,18-20,22-25,35H,10,12-16H2,1-5H3,(H,30,32)(H,33,34)/b9-6+,11-8-,17-7+/t18-,19-,20+,22+,23+,24+,25-,28+/m0/s1
InChIKey: NEWBYXGSZKUMLD-LYSKETOYSA-N
Reference
Cytotoxic Spliceostatins from <i>Burkholderia</i> sp. and Their Semisynthetic Analogues
PubChem CID: 90136700
LOTUS: LTS0091875
NPASS: NPC480801
{NPAtlas: NPA002607
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: 556.0960000000003
TPSA？: 134.88
MolLogP？: 4.517600000000003
Number of H-Donors: 3
Number of H-Acceptors: 7
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | BT-474 | IC50 | 1.85 | nM | 10.1021/np500342m |
| Homo sapiens | MDA-MB-468 | IC50 | 1.35 | nM | 10.1021/np500342m |
| Homo sapiens | NCI-H1975 | IC50 | nan | None | 10.1021/np500342m |
| Homo sapiens | NCI-N87 | IC50 | 0.641 | nM | 10.1021/np500342m |
| None | NON-PROTEIN TARGET | IC50 | nan | None | 10.1021/np500342m |