Farneside A

Details

• Internal ID: af695962-ae66-4915-82df-41109d153e0e
• Taxonomy: Nucleosides, nucleotides, and analogues > Pyrimidine nucleosides
• IUPAC Name: 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[[(E)-3-methyl-5-[3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]pent-2-enoxy]methyl]oxolan-2-yl]-1,3-diazinane-2,4-dione
• SMILES (Canonical): CC(=CCCC1(C(O1)CCC(=CCOCC2C(C(C(O2)N3CCC(=O)NC3=O)O)O)C)C)C
• SMILES (Isomeric): CC(=CCCC1(C(O1)CC/C(=C/COC[C@@H]2[C@H]([C@H]([C@@H](O2)N3CCC(=O)NC3=O)O)O)/C)C)C
• InChI: InChI=1S/C24H38N2O7/c1-15(2)6-5-11-24(4)18(33-24)8-7-16(3)10-13-31-14-17-20(28)21(29)22(32-17)26-12-9-19(27)25-23(26)30/h6,10,17-18,20-22,28-29H,5,7-9,11-14H2,1-4H3,(H,25,27,30)/b16-10+/t17-,18?,20-,21-,22-,24?/m1/s1
• InChI Key: PMYKSEMADATAMV-AOUILNQWSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₄H₃₈N₂O₇
• Molecular Weight: 466.60 g/mol
• Exact Mass: 466.26790156 g/mol
• Topological Polar Surface Area (TPSA): 121.00 Ų
• XlogP: 1.50

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	98.55%	96.09%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	97.52%	91.11%
CHEMBL2581	P07339	Cathepsin D	97.47%	98.95%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	97.27%	94.45%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	96.83%	85.14%
CHEMBL3137262	O60341	LSD1/CoREST complex	92.35%	97.09%
CHEMBL1937	Q92769	Histone deacetylase 2	92.17%	94.75%
CHEMBL5608	Q16288	NT-3 growth factor receptor	88.43%	95.89%
CHEMBL1994	P08235	Mineralocorticoid receptor	87.52%	100.00%
CHEMBL5103	Q969S8	Histone deacetylase 10	87.14%	90.08%
CHEMBL3401	O75469	Pregnane X receptor	86.94%	94.73%
CHEMBL5957	P21589	5'-nucleotidase	86.83%	97.78%
CHEMBL255	P29275	Adenosine A2b receptor	86.67%	98.59%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	85.80%	95.56%
CHEMBL226	P30542	Adenosine A1 receptor	85.23%	95.93%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	83.65%	99.23%
CHEMBL1806	P11388	DNA topoisomerase II alpha	82.93%	89.00%
CHEMBL2107	P61073	C-X-C chemokine receptor type 4	80.78%	93.10%
CHEMBL1293249	Q13887	Kruppel-like factor 5	80.73%	86.33%
CHEMBL221	P23219	Cyclooxygenase-1	80.09%	90.17%
CHEMBL3807	P17706	T-cell protein-tyrosine phosphatase	80.03%	93.00%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 139583103
• LOTUS: LTS0085966
• wikiData: Q75052820