Molecule

2-(1H-indol-3-yl)-3,6-dimethoxy-5-[7-(3-methylbut-2-en-1-yl)-1H-indol-3-yl]cyclohexa-2,5-diene-1,4-dione

AlkaPlorer ID: AK023911

Synonym: None

IUPAC Name: 2-(1H-indol-3-yl)-3,6-dimethoxy-5-[7-(3-methylbut-2-enyl)-1H-indol-3-yl]cyclohexa-2,5-diene-1,4-dione

Structure

SMILES: COC1=C(C2=CNC3=CC=CC=C23)C(=O)C(OC)=C(C2=CNC3=C(CC=C(C)C)C=CC=C23)C1=O

InChI: InChI=1S/C29H26N2O4/c1-16(2)12-13-17-8-7-10-19-21(15-31-25(17)19)24-27(33)28(34-3)23(26(32)29(24)35-4)20-14-30-22-11-6-5-9-18(20)22/h5-12,14-15,30-31H,13H2,1-4H3

InChIKey: FABIJJMKSJBJCJ-UHFFFAOYSA-N

Reference

Metabolic products of Aspergillus terreus. IV. Metabolites of the Strain IFO 8835. (2). The isolation and chemical structure of indolyl benzoquinone pigments.

PubChem CID: 71440488

LOTUS: LTS0122359

COCONUT: CNP0256613

Source

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

Properties Information

Molecule Weight: 466.5370000000002

TPSA？: 84.18

MolLogP？: 5.724900000000004

Number of H-Donors: 2

Number of H-Acceptors: 4

RingCount: 5

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi