Illudosin

Details

• Internal ID: 01fe65ed-192a-4456-a20e-1f1d66754bc8
• Taxonomy: Organic oxygen compounds > Organooxygen compounds > Alcohols and polyols > Secondary alcohols > Cyclopentanols
• IUPAC Name: (2E)-2-[(2R,4S)-4-hydroxy-2-[(1R,2S)-2-hydroxy-4,4-dimethylcyclopentyl]-2-methylcyclobutylidene]propanal
• SMILES (Canonical): CC(=C1C(CC1(C)C2CC(CC2O)(C)C)O)C=O
• SMILES (Isomeric): C/C(=C/1\[C@H](C[C@]1(C)[C@H]2CC(C[C@@H]2O)(C)C)O)/C=O
• InChI: InChI=1S/C15H24O3/c1-9(8-16)13-12(18)7-15(13,4)10-5-14(2,3)6-11(10)17/h8,10-12,17-18H,5-7H2,1-4H3/b13-9-/t10-,11-,12-,15+/m0/s1
• InChI Key: NAUZEYXSLBTBJP-POOLVOQKSA-N
• Popularity: 5 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₅H₂₄O₃
• Molecular Weight: 252.35 g/mol
• Exact Mass: 252.17254462 g/mol
• Topological Polar Surface Area (TPSA): 57.50 Ų
• XlogP: 1.40

Synonyms

• CHEMBL488194
• SCHEMBL22070216
• (2E)-2-[(2R,4S)-4-hydroxy-2-[(1R,2S)-2-hydroxy-4,4-dimethylcyclopentyl]-2-methylcyclobutylidene]propanal

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	93.58%	96.09%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	90.03%	91.11%
CHEMBL1994	P08235	Mineralocorticoid receptor	88.48%	100.00%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	87.79%	94.45%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	82.34%	95.56%
CHEMBL3137262	O60341	LSD1/CoREST complex	82.24%	97.09%
CHEMBL3807	P17706	T-cell protein-tyrosine phosphatase	82.03%	93.00%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 10243941
• LOTUS: LTS0014785
• wikiData: Q77373742