Putisolvin II

Details

• Internal ID: 9dd22006-fdd7-4b37-859b-8c5565cd3c8f
• Taxonomy: Organic acids and derivatives > Peptidomimetics > Depsipeptides > Cyclic depsipeptides
• IUPAC Name: 5-[[1-[[1-[[5-amino-1-[[1-[[1-[[1-[[9-butan-2-yl-3-(hydroxymethyl)-2,5,8,11-tetraoxo-6-propan-2-yl-1-oxa-4,7,10-triazacyclotridec-12-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-[[2-(hexanoylamino)-4-methylpentanoyl]amino]-5-oxopentanoic acid
• InChI: InChI=1S/C65H113N13O19/c1-16-20-21-22-47(82)67-41(27-32(5)6)56(87)68-40(24-26-48(83)84)54(85)70-42(28-33(7)8)57(88)76-51(36(13)17-2)62(93)69-39(23-25-46(66)81)55(86)71-43(29-79)58(89)74-50(35(11)12)61(92)78-52(37(14)18-3)63(94)73-45-31-97-65(96)44(30-80)72-60(91)49(34(9)10)75-64(95)53(38(15)19-4)77-59(45)90/h32-45,49-53,79-80H,16-31H2,1-15H3,(H2,66,81)(H,67,82)(H,68,87)(H,69,93)(H,70,85)(H,71,86)(H,72,91)(H,73,94)(H,74,89)(H,75,95)(H,76,88)(H,77,90)(H,78,92)(H,83,84)
• InChI Key: VIINNBFAPVQYLV-UHFFFAOYSA-N
• Popularity: 5 references in papers

Physical and Chemical Properties

• Molecular Formula: C₆₅H₁₁₃N₁₃O₁₉
• Molecular Weight: 1380.70 g/mol
• Exact Mass: 1379.82756843 g/mol
• Topological Polar Surface Area (TPSA): 496.00 Ų
• XlogP: 3.70

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
CHEMBL2581	P07339	Cathepsin D	99.86%	98.95%
CHEMBL3837	P07711	Cathepsin L	99.79%	96.61%
CHEMBL220	P22303	Acetylcholinesterase	99.00%	94.45%
CHEMBL3060	Q9Y345	Glycine transporter 2	98.26%	99.17%
CHEMBL3359	P21462	Formyl peptide receptor 1	98.07%	93.56%
CHEMBL4588	P22894	Matrix metalloproteinase 8	97.31%	94.66%
CHEMBL3130	O00329	PI3-kinase p110-delta subunit	96.74%	96.47%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	96.44%	96.09%
CHEMBL3137262	O60341	LSD1/CoREST complex	96.15%	97.09%
CHEMBL299	P17252	Protein kinase C alpha	95.88%	98.03%
CHEMBL3776	Q14790	Caspase-8	95.85%	97.06%
CHEMBL2492	P36544	Neuronal acetylcholine receptor protein alpha-7 subunit	95.48%	88.42%
CHEMBL3392948	Q9NP59	Solute carrier family 40 member 1	94.52%	95.00%
CHEMBL236	P41143	Delta opioid receptor	94.39%	99.35%
CHEMBL1907594	P30926	Neuronal acetylcholine receptor; alpha3/beta4	93.91%	97.23%
CHEMBL2094135	Q96BI3	Gamma-secretase	93.88%	98.05%
CHEMBL230	P35354	Cyclooxygenase-2	93.78%	89.63%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	93.76%	91.11%
CHEMBL4018	P49146	Neuropeptide Y receptor type 2	93.58%	98.94%
CHEMBL3807	P17706	T-cell protein-tyrosine phosphatase	93.42%	93.00%
CHEMBL1801	P00747	Plasminogen	93.27%	92.44%
CHEMBL5845	P23415	Glycine receptor subunit alpha-1	93.06%	90.71%
CHEMBL3267	P48736	PI3-kinase p110-gamma subunit	92.93%	95.71%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	92.92%	94.45%
CHEMBL2413	P32246	C-C chemokine receptor type 1	92.59%	89.50%
CHEMBL259	P32245	Melanocortin receptor 4	92.37%	95.38%
CHEMBL4662	P28074	Proteasome Macropain subunit MB1	91.56%	93.85%
CHEMBL5103	Q969S8	Histone deacetylase 10	91.25%	90.08%
CHEMBL4296	Q15858	Sodium channel protein type IX alpha subunit	91.14%	96.11%
CHEMBL2208	P49137	MAP kinase-activated protein kinase 2	90.38%	95.20%
CHEMBL4187	Q99250	Sodium channel protein type II alpha subunit	90.35%	95.50%
CHEMBL5163	Q9NY46	Sodium channel protein type III alpha subunit	90.26%	96.90%
CHEMBL4801	P29466	Caspase-1	90.14%	96.85%
CHEMBL1907589	P17787	Neuronal acetylcholine receptor; alpha4/beta2	89.48%	94.55%
CHEMBL2514	O95665	Neurotensin receptor 2	89.19%	100.00%
CHEMBL1795139	Q8IU80	Transmembrane protease serine 6	88.77%	98.33%
CHEMBL2001	Q9H244	Purinergic receptor P2Y12	88.44%	96.00%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	87.90%	96.00%
CHEMBL2693	Q9UIQ6	Cystinyl aminopeptidase	87.82%	97.64%
CHEMBL340	P08684	Cytochrome P450 3A4	87.71%	91.19%
CHEMBL2072	P35499	Sodium channel protein type IV alpha subunit	87.33%	92.32%
CHEMBL4227	P25090	Lipoxin A4 receptor	87.21%	100.00%
CHEMBL1907591	P30926	Neuronal acetylcholine receptor; alpha4/beta4	86.58%	100.00%
CHEMBL1944495	P28065	Proteasome subunit beta type-9	86.57%	97.50%
CHEMBL4478	Q00975	Voltage-gated N-type calcium channel alpha-1B subunit	86.35%	97.14%
CHEMBL1937	Q92769	Histone deacetylase 2	85.87%	94.75%
CHEMBL3892	Q99500	Sphingosine 1-phosphate receptor Edg-3	85.80%	97.29%
CHEMBL2996	Q05655	Protein kinase C delta	85.46%	97.79%
CHEMBL221	P23219	Cyclooxygenase-1	85.20%	90.17%
CHEMBL4072	P07858	Cathepsin B	84.99%	93.67%
CHEMBL4769	O95749	Geranylgeranyl pyrophosphate synthetase	84.69%	92.08%
CHEMBL4374	Q9Y5X4	Photoreceptor-specific nuclear receptor	83.90%	85.00%
CHEMBL202	P00374	Dihydrofolate reductase	83.27%	89.92%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	83.14%	95.56%
CHEMBL4581	P52732	Kinesin-like protein 1	82.97%	93.18%
CHEMBL5043	Q6P179	Endoplasmic reticulum aminopeptidase 2	82.69%	91.81%
CHEMBL1781	P11387	DNA topoisomerase I	82.28%	97.00%
CHEMBL3976	Q9UHL4	Dipeptidyl peptidase II	80.99%	92.29%
CHEMBL1907603	Q05586	Glutamate NMDA receptor; GRIN1/GRIN2B	80.92%	95.89%
CHEMBL2274	Q9H228	Sphingosine 1-phosphate receptor Edg-8	80.60%	100.00%
CHEMBL4685	P14902	Indoleamine 2,3-dioxygenase	80.45%	96.38%
CHEMBL5979	P05186	Alkaline phosphatase, tissue-nonspecific isozyme	80.25%	85.40%
CHEMBL2730	P21980	Protein-glutamine gamma-glutamyltransferase	80.10%	92.38%
CHEMBL3176	O43603	Galanin receptor 2	80.08%	98.89%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 139588801
• LOTUS: LTS0207363
• wikiData: Q104199449