Spliceostatin D
AlkaPlorer ID: AK071312
Synonym: None
IUPAC Name: 2-[(2S,5S,6R)-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]-5-hydroxy-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)[C@H]1O
InChI: InChI=1S/C28H41NO8/c1-16(8-11-25-28(34)18(3)13-22(37-25)15-27(32)33)7-10-24-17(2)14-23(20(5)36-24)29-26(31)12-9-19(4)35-21(6)30/h7-9,11-12,17,19-20,22-25,28,34H,3,10,13-15H2,1-2,4-6H3,(H,29,31)(H,32,33)/b11-8+,12-9-,16-7+/t17-,19-,20+,22-,23+,24-,25+,28-/m0/s1
InChIKey: PLEGVOTUAFLKRN-ISBBSCLOSA-N
Reference
Cytotoxic Spliceostatins from <i>Burkholderia</i> sp. and Their Semisynthetic Analogues
PubChem CID: 90123874
LOTUS: LTS0269445
NPASS: NPC284942
{NPAtlas: NPA018576
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？: 134.88
MolLogP？: 4.074700000000004
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 | nan | None | 10.1021/np500342m |
| Homo sapiens | HEK-293T | IC50 | 1000.0 | nM | 10.1021/acs.jnatprod.1c00100 |
| Homo sapiens | MDA-MB-468 | IC50 | nan | None | 10.1021/np500342m |
| Homo sapiens | MES-SA | IC50 | 1000.0 | nM | 10.1021/acs.jnatprod.1c00100 |
| Homo sapiens | MES-SA/Dx5 | IC50 | 1000.0 | nM | 10.1021/acs.jnatprod.1c00100 |
| Homo sapiens | NCI-H1975 | IC50 | 950.0 | nM | 10.1021/np500342m |
| Homo sapiens | NCI-N87 | IC50 | nan | None | 10.1021/np500342m |
| None | NON-PROTEIN TARGET | IC50 | nan | None | 10.1021/np500342m |