Molecule

Aurantiamine

AlkaPlorer ID: AK013482

Synonym: '', 'MLS000877015', 'MLSMR', 'Aurantiamine', 'SMR000440633'

IUPAC Name: (3Z,6S)-3-[[5-(2-methylbut-3-en-2-yl)-1H-imidazol-4-yl]methylidene]-6-propan-2-ylpiperazine-2,5-dione

Structure

SMILES: C=CC(C)(C)C1=C(/C=C2\NC(=O)[C@H](C(C)C)NC2=O)N=CN1

InChI: InChI=1S/C16H22N4O2/c1-6-16(4,5)13-10(17-8-18-13)7-11-14(21)20-12(9(2)3)15(22)19-11/h6-9,12H,1H2,2-5H3,(H,17,18)(H,19,22)(H,20,21)/b11-7-/t12-/m0/s1

InChIKey: RSGRSUVVCYUKLM-RDQDRAATSA-N

Reference

An Antifungal Tetrapeptide from the Culture of <i>Penicillium canescens</i>

PubChem CID: 11358551

LOTUS: LTS0073466

NPASS: NPC57278

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Necturus maculosus	Necturus	Proteidae	Caudata	Amphibia	Chordata	Metazoa	Eukaryota
Peteravenia schultzii	Peteravenia	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Gaillardia pinnatifida	Gaillardia	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Astrotrichilia asterotricha	Astrotrichilia	Meliaceae	Sapindales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Heracleum sphondylium	Heracleum	Apiaceae	Apiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Aphis serpylli	Aphis	Aphididae	Hemiptera	Insecta	Arthropoda	Metazoa	Eukaryota
Cryptocarya oubatchensis	Cryptocarya	Lauraceae	Laurales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Garcinia vilersiana	Garcinia	Clusiaceae	Malpighiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Cedrelopsis grevei	Cedrelopsis	Rutaceae	Sapindales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Licaria rigida	Licaria	Lauraceae	Laurales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Dorstenia excentrica	Dorstenia	Moraceae	Rosales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Conogethes punctiferalis	Conogethes	Crambidae	Lepidoptera	Insecta	Arthropoda	Metazoa	Eukaryota
Enterolobium cyclocarpum	Enterolobium	Fabaceae	Fabales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Penicillium aurantiogriseum	Penicillium	Aspergillaceae	Eurotiales	Eurotiomycetes	Ascomycota	Fungi	Eukaryota
Callicarpa pilosissima	Callicarpa	Lamiaceae	Lamiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 302.378

TPSA？: 86.88

MolLogP？: 1.4847999999999997

Number of H-Donors: 3

Number of H-Acceptors: 3

RingCount: 2

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Homo sapiens	HepG2	Activity	56.0	%	10.1021/acs.jnatprod.8b00187
Homo sapiens	HepG2	Activity	nan	None	10.1021/acs.jnatprod.8b00187
None	Unchecked	IC50	25000.0	nM	10.1021/acs.jnatprod.8b00187