Epicoccamide C
AlkaPlorer ID: AK121728
Synonym: '(-)-Epicoccamide C'
IUPAC Name: [(2R,3S,4S,5S,6R)-6-[16-(1,5-dimethyl-2,4-dioxopyrrolidin-3-ylidene)-16-hydroxy-15-methylhexadecoxy]-3,4,5-trihydroxyoxan-2-yl]methyl acetate
Structure
SMILES: CC(=O)OC[C@H]1O[C@@H](OCCCCCCCCCCCCCCC(C)C(=O)C2=C(O)N(C)C(C)C2=O)[C@@H](O)[C@@H](O)[C@@H]1O
InChI: InChI=1S/C31H53NO10/c1-20(25(34)24-26(35)21(2)32(4)30(24)39)17-15-13-11-9-7-5-6-8-10-12-14-16-18-40-31-29(38)28(37)27(36)23(42-31)19-41-22(3)33/h20-21,23,27-29,31,36-39H,5-19H2,1-4H3/t20?,21?,23-,27-,28+,29+,31-/m1/s1
InChIKey: GMUMUQPLPFLTDT-BEQXBITGSA-N
Reference
NPASS: NPC482017
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Epicoccum sp. | Epicoccum | Didymellaceae | Pleosporales | Dothideomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 599.7620000000006
TPSA？: 163.06
MolLogP？: 3.3228000000000013
Number of H-Donors: 4
Number of H-Acceptors: 11
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | HeLa | CC10 | 13.6 | uM | 10.1021/np070245q |
| Homo sapiens | HeLa | CC50 | 29000.0 | nM | 10.1021/np070245q |
| Homo sapiens | K562 | GI50 | 33700.0 | nM | 10.1021/np070245q |
| Mus musculus | L929 | GI50 | 57200.0 | nM | 10.1021/np070245q |