Mycostatin

Details

• Internal ID: df6db74c-f7b1-428a-aae6-8868d0f14bbc
• Taxonomy: Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Aminosaccharides > Aminoglycosides
• IUPAC Name: (1S,15S,16R,17R,18S,19E,21E,25E,27E,29E,31E)-33-[(2S,3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl]oxy-1,3,4,7,9,11,17,37-octahydroxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,25,27,29,31-hexaene-36-carboxylic acid
• SMILES (Canonical): CC1C=CC=CCCC=CC=CC=CC=CC(CC2C(C(CC(O2)(CC(C(CCC(CC(CC(CC(=O)OC(C(C1O)C)C)O)O)O)O)O)O)O)C(=O)O)OC3C(C(C(C(O3)C)O)N)O
• SMILES (Isomeric): C[C@H]1/C=C/C=C/CC/C=C/C=C/C=C/C=C/C(CC2C(C(C[C@](O2)(CC(C(CCC(CC(CC(CC(=O)O[C@H]([C@@H]([C@@H]1O)C)C)O)O)O)O)O)O)O)C(=O)O)O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)C)O)N)O
• InChI: InChI=1S/C47H75NO17/c1-27-17-15-13-11-9-7-5-6-8-10-12-14-16-18-34(64-46-44(58)41(48)43(57)30(4)63-46)24-38-40(45(59)60)37(54)26-47(61,65-38)25-36(53)35(52)20-19-31(49)21-32(50)22-33(51)23-39(55)62-29(3)28(2)42(27)56/h5-6,8,10-18,27-38,40-44,46,49-54,56-58,61H,7,9,19-26,48H2,1-4H3,(H,59,60)/b6-5+,10-8+,13-11+,14-12+,17-15+,18-16+/t27-,28-,29-,30+,31?,32?,33?,34?,35?,36?,37?,38?,40?,41-,42+,43+,44-,46+,47+/m0/s1
• InChI Key: VQOXZBDYSJBXMA-RKEBNKJGSA-N
• Popularity: 5,145 references in papers

Physical and Chemical Properties

• Molecular Formula: C₄₇H₇₅NO₁₇
• Molecular Weight: 926.10 g/mol
• Exact Mass: 925.50349992 g/mol
• Topological Polar Surface Area (TPSA): 320.00 Ų
• XlogP: -0.20

Synonyms

• Mycostatin
• Stamycin
• Nilstat
• Fungicidin
• Biofanal
• Diastatin
• Moronal
• Nystex
• 1400-61-9
• Nystavescent
• Nistatin
• Nystatine
• Nystatinum
• Terrastatin
• Nyotran
• Myconystatin
• Mykostatyna
• Herniocid
• Nystatyna
• Nystan
• Candio-hermal
• Candex Lotion
• Zydin E
• Mycostatin 20
• Mycostatin Pastilles
• Nystatyna [Polish]
• Moronal (antibiotic)
• Caswell No. 607B
• Nystatin LF (liposome)
• Nystatine [INN-French]
• Nystatinum [INN-Latin]
• Nistatina [INN-Spanish]
• Nystatin A
• HSDB 3138
• (4E,6E,8E,10E,14E,16E,18S,19R,20R,21S,35S)-3-[(2S,3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-19,25,27,29,32,33,35,37-octahydroxy-18,20,21-trimethyl-23-oxo-22,39-dioxabicyclo[33.3.1]nonatriaconta-4,6,8,10,14,16-hexaene-38-carboxylic acid
• EINECS 215-749-0
• EPA Pesticide Chemical Code 202800
• NSC 150817
• AI3-26526
• UNII-BDF1O1C72E
• AV & NYS
• SCHEMBL284974
• Nystatin [USP:INN:BAN:JAN]
• (Liposomal Nystatin)Nyotrantrade mark
• AKOS016339654
• DB00646
• KS-1373
• EN300-19639979
• (1S,15S,16R,17R,18S)-33-{[(2S,3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl]oxy}-1,3,4,7,9,11,17,37-octahydroxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,25,27,29,31-hexaene-36-carboxylic acid
• (1S,15S,16R,17R,18S,19E,21E,25E,27E,29E,31E)-33-[(3-amino-3,6-dideoxy-a-D-mannopyranosyl)oxy]-1,3,4,7,9,11,17,37-octahydroxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,25,27,29,31-hexaene-36-carboxylic acid

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	98.00%	91.11%
CHEMBL3137262	O60341	LSD1/CoREST complex	97.86%	97.09%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	97.51%	96.09%
CHEMBL1293249	Q13887	Kruppel-like factor 5	94.27%	86.33%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	90.61%	95.56%
CHEMBL4208	P20618	Proteasome component C5	87.37%	90.00%
CHEMBL2581	P07339	Cathepsin D	86.87%	98.95%
CHEMBL226	P30542	Adenosine A1 receptor	86.34%	95.93%
CHEMBL221	P23219	Cyclooxygenase-1	86.24%	90.17%
CHEMBL3714130	P46095	G-protein coupled receptor 6	85.37%	97.36%
CHEMBL253	P34972	Cannabinoid CB2 receptor	84.17%	97.25%
CHEMBL3572	P11597	Cholesteryl ester transfer protein	83.35%	92.67%
CHEMBL5608	Q16288	NT-3 growth factor receptor	83.23%	95.89%
CHEMBL2007	P16234	Platelet-derived growth factor receptor alpha	81.46%	91.07%
CHEMBL241	Q14432	Phosphodiesterase 3A	80.53%	92.94%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	80.29%	99.23%
CHEMBL4227	P25090	Lipoxin A4 receptor	80.29%	100.00%
CHEMBL3713062	P10646	Tissue factor pathway inhibitor	80.01%	97.33%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 6433272
• LOTUS: LTS0044036
• wikiData: Q104246765