Mupirocin F2

Details

• Internal ID: efbc2de2-c37b-487b-93d3-622848b04b7c
• Taxonomy: Organoheterocyclic compounds > Pyranodioxins
• IUPAC Name: 9-[(E)-4-[(1R,2S,4R,5S,8S,9S)-4-hydroxy-2-[(2S,3S)-3-hydroxybutan-2-yl]-3,6,10-trioxatricyclo[6.2.1.04,9]undecan-5-yl]-3-methylbut-2-enoyl]oxynonanoic acid
• InChI: InChI=1S/C26H42O9/c1-16(13-23(30)32-11-9-7-5-4-6-8-10-22(28)29)12-21-26(31)25-19(15-33-21)14-20(34-25)24(35-26)17(2)18(3)27/h13,17-21,24-25,27,31H,4-12,14-15H2,1-3H3,(H,28,29)/b16-13+/t17-,18-,19-,20+,21-,24-,25-,26+/m0/s1
• InChI Key: OWPQRCRAFRHUIF-REVXWKCCSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₆H₄₂O₉
• Molecular Weight: 498.60 g/mol
• Exact Mass: 498.28288291 g/mol
• Topological Polar Surface Area (TPSA): 132.00 Ų
• XlogP: 3.20

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
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	99.13%	96.09%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	97.50%	94.45%
CHEMBL2179	P04062	Beta-glucocerebrosidase	96.11%	85.31%
CHEMBL3060	Q9Y345	Glycine transporter 2	93.53%	99.17%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	93.45%	91.11%
CHEMBL3130	O00329	PI3-kinase p110-delta subunit	90.75%	96.47%
CHEMBL340	P08684	Cytochrome P450 3A4	89.81%	91.19%
CHEMBL2001	Q9H244	Purinergic receptor P2Y12	89.35%	96.00%
CHEMBL335	P18031	Protein-tyrosine phosphatase 1B	88.46%	95.17%
CHEMBL3267	P48736	PI3-kinase p110-gamma subunit	88.15%	95.71%
CHEMBL1744525	P43490	Nicotinamide phosphoribosyltransferase	88.12%	96.25%
CHEMBL2072	P35499	Sodium channel protein type IV alpha subunit	87.93%	92.32%
CHEMBL1806	P11388	DNA topoisomerase II alpha	87.68%	89.00%
CHEMBL3976	Q9UHL4	Dipeptidyl peptidase II	86.72%	92.29%
CHEMBL221	P23219	Cyclooxygenase-1	86.67%	90.17%
CHEMBL4657	Q6V1X1	Dipeptidyl peptidase VIII	86.57%	97.21%
CHEMBL2581	P07339	Cathepsin D	86.06%	98.95%
CHEMBL4227	P25090	Lipoxin A4 receptor	86.05%	100.00%
CHEMBL3145	P42338	PI3-kinase p110-beta subunit	86.02%	98.75%
CHEMBL3892	Q99500	Sphingosine 1-phosphate receptor Edg-3	85.26%	97.29%
CHEMBL4187	Q99250	Sodium channel protein type II alpha subunit	85.09%	95.50%
CHEMBL5255	O00206	Toll-like receptor 4	84.41%	92.50%
CHEMBL1907602	P06493	Cyclin-dependent kinase 1/cyclin B1	84.38%	91.24%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	84.25%	96.00%
CHEMBL5028	O14672	ADAM10	84.03%	97.50%
CHEMBL236	P41143	Delta opioid receptor	83.37%	99.35%
CHEMBL4330	Q9NS75	Cysteinyl leukotriene receptor 2	83.00%	98.00%
CHEMBL3137262	O60341	LSD1/CoREST complex	82.82%	97.09%
CHEMBL226	P30542	Adenosine A1 receptor	82.80%	95.93%
CHEMBL2107	P61073	C-X-C chemokine receptor type 4	82.15%	93.10%
CHEMBL2035	P08912	Muscarinic acetylcholine receptor M5	81.61%	94.62%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	81.04%	99.23%
CHEMBL255	P29275	Adenosine A2b receptor	80.96%	98.59%
CHEMBL3401	O75469	Pregnane X receptor	80.69%	94.73%
CHEMBL253	P34972	Cannabinoid CB2 receptor	80.49%	97.25%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 101953196
• LOTUS: LTS0210131
• wikiData: Q105202190