Epicoccamide B
AlkaPlorer ID: AK121738
Synonym: '(-)-Epicoccamide B'
IUPAC Name: [(2R,3S,4S,5R,6R)-2-[16-(1,5-dimethyl-2,4-dioxopyrrolidin-3-ylidene)-16-hydroxy-15-methylhexadecoxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] acetate
Structure
SMILES: CC(=O)O[C@@H]1[C@H](O)[C@H](OCCCCCCCCCCCCCCC(C)C(=O)C2=C(O)N(C)C(C)C2=O)O[C@H](CO)[C@H]1O
InChI: InChI=1S/C31H53NO10/c1-20(25(35)24-26(36)21(2)32(4)30(24)39)17-15-13-11-9-7-5-6-8-10-12-14-16-18-40-31-28(38)29(41-22(3)34)27(37)23(19-33)42-31/h20-21,23,27-29,31,33,37-39H,5-19H2,1-4H3/t20?,21?,23-,27-,28+,29+,31-/m1/s1
InChIKey: JHQOGDPWNIOQFH-BEQXBITGSA-N
Reference
NPASS: NPC482016
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Epicoccum sp. | Epicoccum | Didymellaceae | Pleosporales | Dothideomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 599.7620000000004
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 | 26.2 | uM | 10.1021/np070245q |
| Homo sapiens | HeLa | CC50 | 44200.0 | nM | 10.1021/np070245q |
| Homo sapiens | K562 | GI50 | 52700.0 | nM | 10.1021/np070245q |
| Mus musculus | L929 | GI50 | 71100.0 | nM | 10.1021/np070245q |