Nostosin B

Details

• Internal ID: f9ef96df-2140-4766-9e44-1c08fa86f610
• Taxonomy: Benzenoids > Phenols > 1-hydroxy-2-unsubstituted benzenoids
• IUPAC Name: (2S,3R)-N-[(2S)-5-(diaminomethylideneamino)-1-hydroxypentan-2-yl]-2-[[2-hydroxy-4-(4-hydroxyphenyl)butanoyl]amino]-3-methylpentanamide
• InChI: InChI=1S/C22H37N5O5/c1-3-14(2)19(21(32)26-16(13-28)5-4-12-25-22(23)24)27-20(31)18(30)11-8-15-6-9-17(29)10-7-15/h6-7,9-10,14,16,18-19,28-30H,3-5,8,11-13H2,1-2H3,(H,26,32)(H,27,31)(H4,23,24,25)/t14-,16+,18?,19+/m1/s1
• InChI Key: NFEXMBMBZZNYQK-CHLFNJESSA-N
• Popularity: 3 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₂H₃₇N₅O₅
• Molecular Weight: 451.60 g/mol
• Exact Mass: 451.27946930 g/mol
• Topological Polar Surface Area (TPSA): 183.00 Ų
• XlogP: 0.50

Synonyms

• DTXSID301046739
• (2S,3R)-N-((2S)-5-(diaminomethylideneamino)-1-hydroxypentan-2-yl)-2-((2-hydroxy-4-(4-hydroxyphenyl)butanoyl)amino)-3-methylpentanamide
• (2S,3R)-N-[(2S)-5-(diaminomethylideneamino)-1-hydroxypentan-2-yl]-2-[[2-hydroxy-4-(4-hydroxyphenyl)butanoyl]amino]-3-methylpentanamide
• RefChem:166783
• DTXCID401528562
• N-(5-guanidino-1-hydroxypentan-2-yl)-2-(2-hydroxy-4-(4-hydroxyphenyl)butanamido)-3-methylpentanamide
• CHEBI:213140

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	99.16%	98.95%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	98.55%	96.09%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	95.74%	91.11%
CHEMBL3060	Q9Y345	Glycine transporter 2	95.01%	99.17%
CHEMBL2514	O95665	Neurotensin receptor 2	94.32%	100.00%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	93.87%	94.45%
CHEMBL1907591	P30926	Neuronal acetylcholine receptor; alpha4/beta4	93.30%	100.00%
CHEMBL4793	Q86TI2	Dipeptidyl peptidase IX	92.42%	96.95%
CHEMBL5845	P23415	Glycine receptor subunit alpha-1	91.71%	90.71%
CHEMBL5939	Q9NZ08	Endoplasmic reticulum aminopeptidase 1	91.37%	100.00%
CHEMBL3359	P21462	Formyl peptide receptor 1	89.18%	93.56%
CHEMBL2535	P11166	Glucose transporter	89.07%	98.75%
CHEMBL3892	Q99500	Sphingosine 1-phosphate receptor Edg-3	88.87%	97.29%
CHEMBL3286	P00749	Urokinase-type plasminogen activator	88.71%	97.88%
CHEMBL1907594	P30926	Neuronal acetylcholine receptor; alpha3/beta4	87.78%	97.23%
CHEMBL3437	Q16853	Amine oxidase, copper containing	86.92%	94.00%
CHEMBL3004	P33527	Multidrug resistance-associated protein 1	86.29%	96.37%
CHEMBL236	P41143	Delta opioid receptor	85.81%	99.35%
CHEMBL1907603	Q05586	Glutamate NMDA receptor; GRIN1/GRIN2B	85.68%	95.89%
CHEMBL2815	P04629	Nerve growth factor receptor Trk-A	85.65%	87.16%
CHEMBL4657	Q6V1X1	Dipeptidyl peptidase VIII	85.14%	97.21%
CHEMBL4461	Q9NTG7	NAD-dependent deacetylase sirtuin 3	85.07%	94.36%
CHEMBL3837	P07711	Cathepsin L	84.68%	96.61%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	84.21%	95.56%
CHEMBL2274	Q9H228	Sphingosine 1-phosphate receptor Edg-8	83.40%	100.00%
CHEMBL3401	O75469	Pregnane X receptor	83.31%	94.73%
CHEMBL2094135	Q96BI3	Gamma-secretase	82.40%	98.05%
CHEMBL2955	O95136	Sphingosine 1-phosphate receptor Edg-5	81.79%	92.86%
CHEMBL5608	Q16288	NT-3 growth factor receptor	81.72%	95.89%
CHEMBL3091268	Q92753	Nuclear receptor ROR-beta	81.70%	95.50%
CHEMBL1255126	O15151	Protein Mdm4	81.16%	90.20%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 146683698
• LOTUS: LTS0219637
• wikiData: Q105178426