Virginiamycin

Details

• Internal ID: 0599ce86-58cc-42f3-ae4d-d59fa24bfa63
• Taxonomy: Phenylpropanoids and polyketides > Macrolide lactams
• IUPAC Name: N-[(3S,6S,12R,15S,16R,19S,22S)-3-benzyl-12-ethyl-4,16-dimethyl-2,5,11,14,18,21,24-heptaoxo-19-phenyl-17-oxa-1,4,10,13,20-pentazatricyclo[20.4.0.06,10]hexacosan-15-yl]-3-hydroxypyridine-2-carboxamide;(10R,11R,12E,17E,19E,21S)-21-hydroxy-11,19-dimethyl-10-propan-2-yl-9,26-dioxa-3,15,28-triazatricyclo[23.2.1.03,7]octacosa-1(27),6,12,17,19,25(28)-hexaene-2,8,14,23-tetrone
• InChI: InChI=1S/C43H49N7O10.C28H35N3O7/c1-4-29-40(56)49-21-12-17-30(49)41(57)48(3)32(23-26-13-7-5-8-14-26)42(58)50-22-19-28(51)24-31(50)37(53)47-35(27-15-9-6-10-16-27)43(59)60-25(2)34(38(54)45-29)46-39(55)36-33(52)18-11-20-44-36;1-17(2)26-19(4)9-10-24(34)29-11-5-7-18(3)13-20(32)14-21(33)15-25-30-22(16-37-25)27(35)31-12-6-8-23(31)28(36)38-26/h5-11,13-16,18,20,25,29-32,34-35,52H,4,12,17,19,21-24H2,1-3H3,(H,45,54)(H,46,55)(H,47,53);5,7-10,13,16-17,19-20,26,32H,6,11-12,14-15H2,1-4H3,(H,29,34)/b;7-5+,10-9+,18-13+/t25-,29-,30+,31+,32+,34+,35+;19-,20-,26-/m11/s1
• InChI Key: MVTQIFVKRXBCHS-SMMNFGSLSA-N
• Popularity: 1,332 references in papers

Physical and Chemical Properties

• Molecular Formula: C₇₁H₈₄N₁₀O₁₇
• Molecular Weight: 1349.50 g/mol
• Exact Mass: 1348.60159125 g/mol
• Topological Polar Surface Area (TPSA): 364.00 Ų
• XlogP: 0.00

Synonyms

• SK&F 7988
• Pristinamycine
• Staphylomycin
• Stafac
• Eskalin V
• Micamicina
• Mikamycine
• Mikamycinum
• Ostreogricina
• Ostreogrycine
• Ostreogrycinum
• Pristinamicina
• Pristinamycinum
• Pyostacine
• Stapyocine
• Virgimycin
• Virginiamicina
• Virginiamycina
• Virginiamycine
• Virginiamycinum
• Eskalin
• Stafac 20
• Stafac 50
• Eskalin 500
• Stafac 500
• Antibiotic No. 899
• Mikamycine [INN-French]
• Mikamycinum [INN-Latin]
• Ostreogrycin [INN:BAN]
• Micamicina [INN-Spanish]
• Ostreogrycine [INN-French]
• Ostreogrycinum [INN-Latin]
• Mikamycin [INN:BAN:DCF]
• UNII-C49WS9N75L
• Ostreogricina [INN-Spanish]
• Pristinamycine [INN-French]
• Pristinamycinum [INN-Latin]
• Virginiamycine [INN-French]
• Virginiamycinum [INN-Latin]
• Pristinamicina [INN-Spanish]
• Virginiamicina [INN-Spanish]
• Virginiamycina [INN-Spanish]
• C49WS9N75L
• Pristinamycin [INN:BAN:DCF]
• V-MAX 50
• CHEMBL3833352
• Virginiamycin [USAN:INN:BAN]
• HSDB 7033
• 11006-76-1
• SKF 7988
• EINECS 234-244-6
• RP7293
• DB11476
• Antibiotic produced by Streptomyces virginiae
• Antibiotic produced by Streptomyces mitakaensis, or the same substance produced by any other means
• Antibiotic produced by Streptomyces pristina spiralis, or the same substance produced by any other means
• Antibiotic substances derived from cultures of Streptomyces osteogriseus, or the same substance produced by any other means

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
CHEMBL2581	P07339	Cathepsin D	99.61%	98.95%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	99.27%	85.14%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	99.04%	96.09%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	97.15%	99.23%
CHEMBL1907600	Q00535	Cyclin-dependent kinase 5/CDK5 activator 1	96.51%	93.03%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	96.19%	95.56%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	93.66%	94.00%
CHEMBL221	P23219	Cyclooxygenase-1	92.60%	90.17%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	92.00%	94.45%
CHEMBL4208	P20618	Proteasome component C5	91.96%	90.00%
CHEMBL1860	P10827	Thyroid hormone receptor alpha	91.85%	99.15%
CHEMBL5845	P23415	Glycine receptor subunit alpha-1	90.79%	90.71%
CHEMBL3137262	O60341	LSD1/CoREST complex	90.67%	97.09%
CHEMBL3130	O00329	PI3-kinase p110-delta subunit	90.52%	96.47%
CHEMBL3060	Q9Y345	Glycine transporter 2	90.43%	99.17%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	90.20%	91.11%
CHEMBL5608	Q16288	NT-3 growth factor receptor	90.05%	95.89%
CHEMBL3401	O75469	Pregnane X receptor	89.48%	94.73%
CHEMBL1806	P11388	DNA topoisomerase II alpha	89.44%	89.00%
CHEMBL1293249	Q13887	Kruppel-like factor 5	89.26%	86.33%
CHEMBL3891	P07384	Calpain 1	88.19%	93.04%
CHEMBL4685	P14902	Indoleamine 2,3-dioxygenase	87.38%	96.38%
CHEMBL3729	P22748	Carbonic anhydrase IV	86.67%	99.23%
CHEMBL2069156	Q14145	Kelch-like ECH-associated protein 1	86.28%	82.38%
CHEMBL5103	Q969S8	Histone deacetylase 10	85.47%	90.08%
CHEMBL2693	Q9UIQ6	Cystinyl aminopeptidase	84.69%	97.64%
CHEMBL1902	P62942	FK506-binding protein 1A	83.68%	97.05%
CHEMBL2535	P11166	Glucose transporter	81.77%	98.75%
CHEMBL2335	P42785	Lysosomal Pro-X carboxypeptidase	80.81%	100.00%
CHEMBL4330	Q9NS75	Cysteinyl leukotriene receptor 2	80.69%	98.00%
CHEMBL3713062	P10646	Tissue factor pathway inhibitor	80.60%	97.33%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 127053480
• LOTUS: LTS0136890
• wikiData: Q105173298