606139-26-8
AlkaPlorer ID: AK053922
Synonym: '(+)-Epicoccamide', 'Epicoccamide'
IUPAC Name: 3-[1-hydroxy-2-methyl-16-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexadecylidene]-1,5-dimethylpyrrolidine-2,4-dione
Structure
SMILES: CC(CCCCCCCCCCCCCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)C(=O)C1=C(O)N(C)C(C)C1=O
InChI: InChI=1S/C29H51NO9/c1-19(23(32)22-24(33)20(2)30(3)28(22)37)16-14-12-10-8-6-4-5-7-9-11-13-15-17-38-29-27(36)26(35)25(34)21(18-31)39-29/h19-21,25-27,29,31,34-37H,4-18H2,1-3H3/t19?,20?,21-,25-,26+,27+,29-/m1/s1
InChIKey: NHTZEZZBJRROIH-XIECNSLGSA-N
Reference
NPASS: NPC482015
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Epicoccum sp. | Epicoccum | Didymellaceae | Pleosporales | Dothideomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 557.7250000000001
TPSA？: 156.99
MolLogP？: 2.752
Number of H-Donors: 5
Number of H-Acceptors: 10
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | HeLa | CC10 | 51.3 | uM | 10.1021/np070245q |
| Homo sapiens | HeLa | CC50 | 90000.0 | nM | 10.1021/np070245q |
| Homo sapiens | K562 | GI50 | 90000.0 | nM | 10.1021/np070245q |
| Mus musculus | L929 | GI50 | 90000.0 | nM | 10.1021/np070245q |