4′-epi-N-2-hydroxyethyl-azachaetoviridin A
AlkaPlorer ID: AK035225
Synonym: None
IUPAC Name: (6aS)-5-chloro-2-(2-hydroxyethyl)-9-[(2R,3R)-3-hydroxy-2-methylbutanoyl]-6a-methyl-3-[(E,3S)-3-methylpent-1-enyl]furo[2,3-h]isoquinoline-6,8-dione
Structure
SMILES: CC[C@H](C)/C=C/C1=CC2=C(Cl)C(=O)[C@@]3(C)OC(=O)C(C(=O)[C@H](C)[C@@H](C)O)=C3C2=CN1CCO
InChI: InChI=1S/C25H30ClNO6/c1-6-13(2)7-8-16-11-17-18(12-27(16)9-10-28)20-19(22(30)14(3)15(4)29)24(32)33-25(20,5)23(31)21(17)26/h7-8,11-15,28-29H,6,9-10H2,1-5H3/b8-7+/t13-,14+,15+,25-/m0/s1
InChIKey: CZNRWTXPKFAZAT-SUBMGMGCSA-N
Reference
New azaphilones from Chaetomium globosum isolated from the built environment
PubChem CID: 73353406
LOTUS: LTS0119820
{NPAtlas: NPA006172
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Chaetomium globosum | Chaetomium | Chaetomiaceae | Sordariales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 475.9690000000002
TPSA？: 104.14
MolLogP？: 2.9381000000000017
Number of H-Donors: 2
Number of H-Acceptors: 7
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | HepG2 | IC50 | 53400.0 | nM | 10.1016/j.bmcl.2013.03.044 |