Enniatin J2

Details

• Internal ID: 214d63a7-c952-4a10-aef3-9015d0907058
• Taxonomy: Organic acids and derivatives > Peptidomimetics > Depsipeptides > Cyclic depsipeptides
• IUPAC Name: (3S,6R,9S,12R,18R)-3-[(2S)-butan-2-yl]-4,10,15,16-tetramethyl-6,9,12,18-tetra(propan-2-yl)-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone
• InChI: InChI=1S/C32H55N3O9/c1-15-20(10)23-32(41)44-24(17(4)5)27(36)33(12)21(11)30(39)42-25(18(6)7)28(37)34(13)22(16(2)3)31(40)43-26(19(8)9)29(38)35(23)14/h16-26H,15H2,1-14H3/t20-,21?,22-,23-,24+,25+,26+/m0/s1
• InChI Key: XAMQMLHUKZPWHG-BXEKCNPMSA-N
• Popularity: 1 reference in papers

Physical and Chemical Properties

• Molecular Formula: C₃₂H₅₅N₃O₉
• Molecular Weight: 625.80 g/mol
• Exact Mass: 625.39383034 g/mol
• Topological Polar Surface Area (TPSA): 140.00 Ų
• XlogP: 5.90

Synonyms

There are no found synonyms.

2D Structure

ADMET Properties (via admetSAR 2)

Target	Value	Probability (raw)	Probability (%)
No predicted properties yet!

Targets

Proven Targets:

No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL253	P34972	Cannabinoid CB2 receptor	97.97%	97.25%
CHEMBL2581	P07339	Cathepsin D	94.81%	98.95%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	94.20%	96.09%
CHEMBL1949	P62937	Cyclophilin A	87.05%	98.57%
CHEMBL255	P29275	Adenosine A2b receptor	85.99%	98.59%
CHEMBL4072	P07858	Cathepsin B	84.29%	93.67%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	83.81%	95.56%
CHEMBL3401	O75469	Pregnane X receptor	83.09%	94.73%
CHEMBL3130	O00329	PI3-kinase p110-delta subunit	82.80%	96.47%
CHEMBL1907	P15144	Aminopeptidase N	81.14%	93.31%
CHEMBL5845	P23415	Glycine receptor subunit alpha-1	81.05%	90.71%
CHEMBL332	P03956	Matrix metalloproteinase-1	80.48%	94.50%
CHEMBL3359	P21462	Formyl peptide receptor 1	80.31%	93.56%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 139583264
• LOTUS: LTS0075718
• wikiData: Q75057935