Epicoccamide D
AlkaPlorer ID: AK121734
Synonym: '(-)-Epicoccamide D'
IUPAC Name: 3-[1-hydroxy-2-methyl-18-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadecylidene]-1,5-dimethylpyrrolidine-2,4-dione
Structure
SMILES: CC(CCCCCCCCCCCCCCCCO[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/C31H55NO9/c1-21(25(34)24-26(35)22(2)32(3)30(24)39)18-16-14-12-10-8-6-4-5-7-9-11-13-15-17-19-40-31-29(38)28(37)27(36)23(20-33)41-31/h21-23,27-29,31,33,36-39H,4-20H2,1-3H3/t21?,22?,23-,27-,28+,29+,31-/m1/s1
InChIKey: SESJSJKBVQSHHU-TWGBMDCUSA-N
Reference
NPASS: NPC482018
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Epicoccum sp. | Epicoccum | Didymellaceae | Pleosporales | Dothideomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 585.779
TPSA？: 156.99
MolLogP？: 3.5322000000000013
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 | 11.6 | uM | 10.1021/np070245q |
| Homo sapiens | HeLa | CC50 | 17000.0 | nM | 10.1021/np070245q |
| Homo sapiens | K562 | GI50 | 33300.0 | nM | 10.1021/np070245q |
| Mus musculus | L929 | GI50 | 50500.0 | nM | 10.1021/np070245q |
| Remotididymella destructiva | Remotididymella destructiva | Activity | nan | None | 10.1021/np070245q |