N-2-butyric-azochaetoviridin E
AlkaPlorer ID: AK070491
Synonym: None
IUPAC Name: 4-[(6aS)-5-chloro-6a-methyl-9-[(E)-2-methylbut-2-enoyl]-3-[(E,3S)-3-methylpent-1-enyl]-6,8-dioxofuro[2,3-h]isoquinolin-2-yl]butanoic acid
Structure
SMILES: C/C=C(\C)C(=O)C1=C2C3=CN(CCCC(=O)O)C(/C=C/[C@@H](C)CC)=CC3=C(Cl)C(=O)[C@@]2(C)OC1=O
InChI: InChI=1S/C27H30ClNO6/c1-6-15(3)10-11-17-13-18-19(14-29(17)12-8-9-20(30)31)22-21(24(32)16(4)7-2)26(34)35-27(22,5)25(33)23(18)28/h7,10-11,13-15H,6,8-9,12H2,1-5H3,(H,30,31)/b11-10+,16-7+/t15-,27-/m0/s1
InChIKey: SRHMVVABWPFZIM-SPWBCSBSSA-N
Reference
New azaphilones from Chaetomium globosum isolated from the built environment
PubChem CID: 71550917
LOTUS: LTS0195455
{NPAtlas: NPA018511
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Chaetomium globosum | Chaetomium | Chaetomiaceae | Sordariales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 499.9910000000002
TPSA？: 100.98000000000002
MolLogP？: 4.7599000000000045
Number of H-Donors: 1
Number of H-Acceptors: 6
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | HepG2 | IC50 | 1700.0 | nM | 10.1016/j.bmcl.2013.03.044 |