Salfredin A7

Details

• Internal ID: a84a5e8b-8282-426a-8cb4-c5ed8c38fe2a
• Taxonomy: Organoheterocyclic compounds > Indoles and derivatives > Indolyl carboxylic acids and derivatives
• IUPAC Name: (2R)-2-[(2S)-6-(1-carboxyethyl)-4-hydroxy-7-oxo-3,5-dihydro-2H-furo[2,3-f]isoindol-2-yl]propanoic acid
• SMILES (Canonical): CC(C1CC2=C(O1)C=C3C(=C2O)CN(C3=O)C(C)C(=O)O)C(=O)O
• SMILES (Isomeric): C[C@H]([C@@H]1CC2=C(O1)C=C3C(=C2O)CN(C3=O)C(C)C(=O)O)C(=O)O
• InChI: InChI=1S/C16H17NO7/c1-6(15(20)21)11-4-9-12(24-11)3-8-10(13(9)18)5-17(14(8)19)7(2)16(22)23/h3,6-7,11,18H,4-5H2,1-2H3,(H,20,21)(H,22,23)/t6-,7?,11+/m1/s1
• InChI Key: NMWBQDUMSFMKDB-XGLFCGLISA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₆H₁₇NO₇
• Molecular Weight: 335.31 g/mol
• Exact Mass: 335.10050188 g/mol
• Topological Polar Surface Area (TPSA): 124.00 Ų
• XlogP: 0.70

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
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	95.86%	96.09%
CHEMBL2581	P07339	Cathepsin D	95.61%	98.95%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	94.29%	91.11%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	93.85%	85.14%
CHEMBL1806	P11388	DNA topoisomerase II alpha	90.24%	89.00%
CHEMBL5697	Q9GZT9	Egl nine homolog 1	90.23%	93.40%
CHEMBL5845	P23415	Glycine receptor subunit alpha-1	89.60%	90.71%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	88.46%	95.56%
CHEMBL1860	P10827	Thyroid hormone receptor alpha	85.56%	99.15%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	85.40%	99.23%
CHEMBL2553	Q15418	Ribosomal protein S6 kinase alpha 1	84.53%	85.11%
CHEMBL3060	Q9Y345	Glycine transporter 2	83.77%	99.17%
CHEMBL1293249	Q13887	Kruppel-like factor 5	82.83%	86.33%
CHEMBL5852	Q96P65	Pyroglutamylated RFamide peptide receptor	82.79%	85.00%
CHEMBL3807	P17706	T-cell protein-tyrosine phosphatase	81.26%	93.00%
CHEMBL1951	P21397	Monoamine oxidase A	81.25%	91.49%
CHEMBL3359	P21462	Formyl peptide receptor 1	80.64%	93.56%
CHEMBL5608	Q16288	NT-3 growth factor receptor	80.26%	95.89%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 10404691
• LOTUS: LTS0083923
• wikiData: Q105181995