Topsentin A; 13,14-Dihydro

AlkaPlorer ID: AK034284

Synonym: Topsentin D

IUPAC Name: 1H-indol-3-yl-[5-(1H-indol-3-yl)-4,5-dihydro-1H-imidazol-2-yl]methanone

Structure

SMILES: O=C(C1=NC(C2=CNC3=CC=CC=C23)CN1)C1=CNC2=CC=CC=C12

copy

InChI: InChI=1S/C20H16N4O/c25-19(15-10-22-17-8-4-2-6-13(15)17)20-23-11-18(24-20)14-9-21-16-7-3-1-5-12(14)16/h1-10,18,21-22H,11H2,(H,23,24)

copy

InChIKey: UUMCZZRLMTYDAM-UHFFFAOYSA-N

copy

Reference

PubChem CID: 12018820

COCONUT: CNP0325458

Source

Species Genus Family Order Class Phylum Kingdom Domain
None Topsentia None Suberitida Demospongiae Porifera Metazoa Eukaryota

Properties Information

Molecule Weight: 328.37500000000006

TPSA: 73.03999999999999

MolLogP: 3.5749000000000013

Number of H-Donors: 3

Number of H-Acceptors: 3

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information