Molecule

Not named

AlkaPlorer ID: AK028315

Synonym: None

IUPAC Name: [4-hydroxy-2,5-bis[[2-(3-methylbut-2-enyl)-1H-indol-3-yl]methyl]-3,6-dioxocyclohexa-1,4-dien-1-yl] acetate

Structure

SMILES: CC(=O)OC1=C(CC2=C(CC=C(C)C)NC3=CC=CC=C23)C(=O)C(O)=C(CC2=C(CC=C(C)C)NC3=CC=CC=C23)C1=O

InChI: InChI=1S/C36H36N2O5/c1-20(2)14-16-31-25(23-10-6-8-12-29(23)37-31)18-27-33(40)34(41)28(36(35(27)42)43-22(5)39)19-26-24-11-7-9-13-30(24)38-32(26)17-15-21(3)4/h6-15,37-38,40H,16-19H2,1-5H3

InChIKey: OKRFRAUPCZMOFM-UHFFFAOYSA-N

Reference

Asterriquinones Produced by Aspergillus candidus Inhibit Binding of the Grb-2 Adapter to Phosphorylated EGF Receptor Tyrosine Kinase.

PubChem CID: 10507396

LOTUS: LTS0044817

COCONUT: CNP0138601

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Aspergillus candidus	Aspergillus	Aspergillaceae	Eurotiales	Eurotiomycetes	Ascomycota	Fungi	Eukaryota

Properties Information

Molecule Weight: 576.6930000000003

TPSA？: 112.25

MolLogP？: 7.232900000000007

Number of H-Donors: 3

Number of H-Acceptors: 5

RingCount: 5

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi