Molecule

asperlicin

AlkaPlorer ID: AK042030

Synonym: '(-)-Asperlicin', 'Asperlicin'

IUPAC Name: (7S)-7-[[(2S)-4-hydroxy-2-(2-methylpropyl)-1-oxo-3,3a-dihydro-2H-imidazo[1,2-a]indol-4-yl]methyl]-6,7-dihydroquinazolino[3,2-a][1,4]benzodiazepine-5,13-dione

Structure

SMILES: CC(C)C[C@@H]1NC2N(C1=O)C1=CC=CC=C1C2(O)C[C@@H]1N=C(O)C2=CC=CC=C2N2C1=NC1=CC=CC=C1C2=O

InChI: InChI=1S/C31H29N5O4/c1-17(2)15-22-29(39)36-25-14-8-5-11-20(25)31(40,30(36)34-22)16-23-26-32-21-12-6-3-9-18(21)28(38)35(26)24-13-7-4-10-19(24)27(37)33-23/h3-14,17,22-23,30,34,40H,15-16H2,1-2H3,(H,33,37)/t22-,23-,30?,31?/m0/s1

InChIKey: MGMRIOLWEROPJY-FEMCMSFOSA-N

Reference

Asperlicin, a novel non-peptidal cholecystokinin antagonist from Aspergillus alliaceus. Fermentation, isolation and biological properties.

PubChem CID: 443364

CAS: 93413-04-8

LOTUS: LTS0072513

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Apis cerana	Apis	Apidae	Hymenoptera	Insecta	Arthropoda	Metazoa	Eukaryota

Properties Information

Molecule Weight: 535.6040000000003

TPSA？: 120.05

MolLogP？: 3.7135000000000025

Number of H-Donors: 3

Number of H-Acceptors: 7

RingCount: 7

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi