Illudin G

Details

• Internal ID: ee37fec3-0df0-4be2-8dab-002aae51d435
• Taxonomy: Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Cyclic ketones > Cyclohexenones
• IUPAC Name: (1R,3R,5S)-1,3,5-trihydroxy-2,2,5-trimethyl-7-methylidenespiro[1,3-dihydroindene-6,1'-cyclopropane]-4-one
• SMILES (Canonical): CC1(C(C2=C(C1O)C(=O)C(C3(C2=C)CC3)(C)O)O)C
• SMILES (Isomeric): C[C@]1(C(=O)C2=C([C@H](C([C@H]2O)(C)C)O)C(=C)C13CC3)O
• InChI: InChI=1S/C15H20O4/c1-7-8-9(11(17)13(2,3)10(8)16)12(18)14(4,19)15(7)5-6-15/h10-11,16-17,19H,1,5-6H2,2-4H3/t10-,11+,14-/m1/s1
• InChI Key: JOWPMOZFULLYTJ-UHIISALHSA-N
• Popularity: 1 reference in papers

Physical and Chemical Properties

• Molecular Formula: C₁₅H₂₀O₄
• Molecular Weight: 264.32 g/mol
• Exact Mass: 264.13615911 g/mol
• Topological Polar Surface Area (TPSA): 77.80 Ų
• XlogP: -0.30

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
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	89.69%	91.11%
CHEMBL2581	P07339	Cathepsin D	88.83%	98.95%
CHEMBL1937	Q92769	Histone deacetylase 2	87.67%	94.75%
CHEMBL4040	P28482	MAP kinase ERK2	87.50%	83.82%
CHEMBL1907600	Q00535	Cyclin-dependent kinase 5/CDK5 activator 1	86.08%	93.03%
CHEMBL221	P23219	Cyclooxygenase-1	85.06%	90.17%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	84.63%	96.09%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	84.44%	95.56%
CHEMBL1994	P08235	Mineralocorticoid receptor	82.57%	100.00%
CHEMBL3137262	O60341	LSD1/CoREST complex	81.71%	97.09%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	80.88%	94.45%
CHEMBL1907602	P06493	Cyclin-dependent kinase 1/cyclin B1	80.56%	91.24%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 139586518
• LOTUS: LTS0212602
• wikiData: Q105132565