Epicoccin G
AlkaPlorer ID: AK018773
Synonym: None
IUPAC Name: (1R,4S,5S,9R,11R,14S,15S,19R)-5,15-dihydroxy-1,11-bis(methylsulfanyl)-3,13-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosane-2,8,12,18-tetrone
Structure
SMILES: CS[C@@]12C[C@H]3C(=O)CC[C@H](O)[C@H]3N1C(=O)[C@]1(SC)C[C@H]3C(=O)CC[C@H](O)[C@H]3N1C2=O
InChI: InChI=1S/C20H26N2O6S2/c1-29-19-7-9-11(23)3-5-13(25)15(9)21(19)18(28)20(30-2)8-10-12(24)4-6-14(26)16(10)22(20)17(19)27/h9-10,13-16,25-26H,3-8H2,1-2H3/t9-,10-,13-,14-,15-,16-,19+,20+/m0/s1
InChIKey: FZVZQZDYZWKKHU-RIJSRGPQSA-N
Reference
Diketopiperazines from the <i>Cordyceps</i>-Colonizing Fungus <i>Epicoccum nigrum</i>
PubChem CID: 44614134
LOTUS: LTS0134165
SuperNatural Ⅲ: SN0099991-03
NPASS: NPC28542
{NPAtlas: NPA000569
Source
Properties Information
Molecule Weight: 454.5700000000002
TPSA？: 115.22
MolLogP？: 0.0003999999999997
Number of H-Donors: 2
Number of H-Acceptors: 8
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | A2780 | Inhibition | nan | % | 10.1021/np1000895 |
| Homo sapiens | A549 | Inhibition | nan | % | 10.1021/np1000895 |
| Homo sapiens | Bel-7402 | Inhibition | nan | % | 10.1021/np1000895 |
| Homo sapiens | BGC-823 | Inhibition | nan | % | 10.1021/np1000895 |
| Homo sapiens | HCT-116 | Inhibition | nan | % | 10.1021/np1000895 |
| Homo sapiens | HCT-8 | Inhibition | nan | % | 10.1021/np1000895 |
| Human immunodeficiency virus 1 | Human immunodeficiency virus 1 | EC50 | 13500.0 | nM | 10.1021/np900654a |
| None | ADMET | CC50 | 100000.0 | nM | 10.1021/np900654a |
| None | NON-PROTEIN TARGET | IC50 | 3070.0 | nM | 10.1021/np1000895 |