6,12,18-Tris(but-3-en-2-yl)-4,10,16-trimethyl-3,9,15-tri(propan-2-yl)-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone

Details

• Internal ID: d5258329-42c2-402f-ac9a-0a68d03e02cd
• Taxonomy: Organic acids and derivatives > Peptidomimetics > Depsipeptides > Cyclic depsipeptides
• IUPAC Name: 6,12,18-tris(but-3-en-2-yl)-4,10,16-trimethyl-3,9,15-tri(propan-2-yl)-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone
• InChI: InChI=1S/C36H57N3O9/c1-16-22(10)28-31(40)37(13)26(20(6)7)35(44)47-30(24(12)18-3)33(42)39(15)27(21(8)9)36(45)48-29(23(11)17-2)32(41)38(14)25(19(4)5)34(43)46-28/h16-30H,1-3H2,4-15H3
• InChI Key: RWOZNZUOPPEBEK-UHFFFAOYSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₃₆H₅₇N₃O₉
• Molecular Weight: 675.90 g/mol
• Exact Mass: 675.40948040 g/mol
• Topological Polar Surface Area (TPSA): 140.00 Ų
• XlogP: 6.90

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
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	90.59%	95.56%
CHEMBL253	P34972	Cannabinoid CB2 receptor	89.27%	97.25%
CHEMBL2581	P07339	Cathepsin D	88.58%	98.95%
CHEMBL1293267	Q9HC97	G-protein coupled receptor 35	87.26%	89.34%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	84.95%	96.09%
CHEMBL5103	Q969S8	Histone deacetylase 10	81.57%	90.08%
CHEMBL1949	P62937	Cyclophilin A	80.67%	98.57%
CHEMBL3401	O75469	Pregnane X receptor	80.43%	94.73%
CHEMBL321	P14780	Matrix metalloproteinase 9	80.03%	92.12%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 139585351
• LOTUS: LTS0208443
• wikiData: Q77420671