salinosporamide D

Details

• Internal ID: d579cb13-810d-46c7-a8f6-438f632528f9
• Taxonomy: Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives
• IUPAC Name: (1R,4R,5S)-1-[(S)-[(1S)-cyclohex-2-en-1-yl]-hydroxymethyl]-4,5-dimethyl-6-oxa-2-azabicyclo[3.2.0]heptane-3,7-dione
• SMILES (Canonical): CC1C(=O)NC2(C1(OC2=O)C)C(C3CCCC=C3)O
• SMILES (Isomeric): C[C@H]1C(=O)N[C@@]2([C@]1(OC2=O)C)[C@H]([C@H]3CCCC=C3)O
• InChI: InChI=1S/C14H19NO4/c1-8-11(17)15-14(12(18)19-13(8,14)2)10(16)9-6-4-3-5-7-9/h4,6,8-10,16H,3,5,7H2,1-2H3,(H,15,17)/t8-,9+,10-,13-,14-/m0/s1
• InChI Key: XSAPVTUEGDPTEC-BTXSVYSASA-N
• Popularity: 4 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₄H₁₉NO₄
• Molecular Weight: 265.30 g/mol
• Exact Mass: 265.13140809 g/mol
• Topological Polar Surface Area (TPSA): 75.60 Ų
• XlogP: 1.40

Synonyms

• CHEMBL373150
• SCHEMBL6380342
• PD139979

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
CHEMBL253	P34972	Cannabinoid CB2 receptor	96.04%	97.25%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	95.76%	91.11%
CHEMBL4208	P20618	Proteasome component C5	95.09%	90.00%
CHEMBL2581	P07339	Cathepsin D	94.15%	98.95%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	93.87%	96.09%
CHEMBL3137262	O60341	LSD1/CoREST complex	93.08%	97.09%
CHEMBL4662	P28074	Proteasome Macropain subunit MB1	91.53%	93.85%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	91.37%	95.56%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	90.91%	94.45%
CHEMBL3492	P49721	Proteasome Macropain subunit	87.08%	90.24%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	86.18%	85.14%
CHEMBL1806	P11388	DNA topoisomerase II alpha	85.32%	89.00%
CHEMBL5103	Q969S8	Histone deacetylase 10	84.54%	90.08%
CHEMBL1907605	P24864	Cyclin-dependent kinase 2/cyclin E1	83.07%	92.88%
CHEMBL3310	Q96DB2	Histone deacetylase 11	82.98%	88.56%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	82.20%	99.23%
CHEMBL1994	P08235	Mineralocorticoid receptor	81.97%	100.00%
CHEMBL5608	Q16288	NT-3 growth factor receptor	81.56%	95.89%
CHEMBL1907600	Q00535	Cyclin-dependent kinase 5/CDK5 activator 1	81.26%	93.03%
CHEMBL4227	P25090	Lipoxin A4 receptor	80.81%	100.00%
CHEMBL241	Q14432	Phosphodiesterase 3A	80.57%	92.94%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 16118709
• LOTUS: LTS0070141
• wikiData: Q77419993