Carbomycin A

Details

• Internal ID: 62970201-dc5d-4224-a518-b01ba10fa411
• Taxonomy: Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Aminosaccharides > Aminoglycosides
• IUPAC Name: [(2S,3S,4R,6S)-6-[(2R,3S,4R,5R,6S)-6-[[(3R,7R,8S,9S,10R,12R,14E)-7-acetyloxy-8-methoxy-3,12-dimethyl-5,13-dioxo-10-(2-oxoethyl)-4,17-dioxabicyclo[14.1.0]heptadec-14-en-9-yl]oxy]-4-(dimethylamino)-5-hydroxy-2-methyloxan-3-yl]oxy-4-hydroxy-2,4-dimethyloxan-3-yl] 3-methylbutanoate
• InChI: InChI=1S/C42H67NO16/c1-21(2)16-32(47)57-40-25(6)53-34(20-42(40,8)50)58-37-24(5)54-41(36(49)35(37)43(9)10)59-38-27(14-15-44)17-22(3)28(46)12-13-29-30(56-29)18-23(4)52-33(48)19-31(39(38)51-11)55-26(7)45/h12-13,15,21-25,27,29-31,34-41,49-50H,14,16-20H2,1-11H3/b13-12+/t22-,23-,24-,25+,27+,29?,30?,31-,34+,35-,36-,37-,38+,39+,40+,41+,42-/m1/s1
• InChI Key: FQVHOULQCKDUCY-JXCZFYCESA-N
• Popularity: 384 references in papers

Physical and Chemical Properties

• Molecular Formula: C₄₂H₆₇NO₁₆
• Molecular Weight: 842.00 g/mol
• Exact Mass: 841.44598505 g/mol
• Topological Polar Surface Area (TPSA): 215.00 Ų
• XlogP: 1.80

Synonyms

• Carbomycin A
• DTXSID5046855
• Deltamycin A4
• NCGC00181116-01
• SCHEMBL140113
• CHEMBL2355445
• DTXCID3026855
• 4564-87-8
• Tox21_112727
• CAS-4564-87-8

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
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	98.89%	91.11%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	97.79%	96.09%
CHEMBL2581	P07339	Cathepsin D	96.43%	98.95%
CHEMBL2996	Q05655	Protein kinase C delta	93.56%	97.79%
CHEMBL253	P34972	Cannabinoid CB2 receptor	93.32%	97.25%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	92.15%	85.14%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	91.48%	95.56%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	90.48%	94.45%
CHEMBL1293249	Q13887	Kruppel-like factor 5	89.56%	86.33%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	89.26%	96.00%
CHEMBL3060	Q9Y345	Glycine transporter 2	88.83%	99.17%
CHEMBL1806	P11388	DNA topoisomerase II alpha	88.76%	89.00%
CHEMBL5608	Q16288	NT-3 growth factor receptor	88.75%	95.89%
CHEMBL2007	P16234	Platelet-derived growth factor receptor alpha	87.82%	91.07%
CHEMBL3714130	P46095	G-protein coupled receptor 6	87.36%	97.36%
CHEMBL2553	Q15418	Ribosomal protein S6 kinase alpha 1	86.27%	85.11%
CHEMBL3359	P21462	Formyl peptide receptor 1	84.61%	93.56%
CHEMBL340	P08684	Cytochrome P450 3A4	84.56%	91.19%
CHEMBL1907602	P06493	Cyclin-dependent kinase 1/cyclin B1	84.14%	91.24%
CHEMBL1907603	Q05586	Glutamate NMDA receptor; GRIN1/GRIN2B	82.93%	95.89%
CHEMBL1994	P08235	Mineralocorticoid receptor	82.79%	100.00%
CHEMBL3922	P50579	Methionine aminopeptidase 2	81.62%	97.28%
CHEMBL5163	Q9NY46	Sodium channel protein type III alpha subunit	81.56%	96.90%
CHEMBL1951	P21397	Monoamine oxidase A	81.00%	91.49%
CHEMBL3807	P17706	T-cell protein-tyrosine phosphatase	80.96%	93.00%
CHEMBL4015	P41597	C-C chemokine receptor type 2	80.83%	98.57%
CHEMBL1907605	P24864	Cyclin-dependent kinase 2/cyclin E1	80.55%	92.88%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 6433412
• LOTUS: LTS0069682
• wikiData: Q104999908