Cordiaquinol J

Details

• Internal ID: ca8aad19-e5e2-4875-b38a-db146ab06e10
• Taxonomy: Benzenoids > Anthracenes
• IUPAC Name: (5R,8aS,10aR)-5,8a-dimethyl-6,7,8,9,10,10a-hexahydroanthracene-1,4,5-triol
• InChI: InChI=1S/C16H22O3/c1-15-6-3-7-16(2,19)14(15)8-10-11(9-15)13(18)5-4-12(10)17/h4-5,14,17-19H,3,6-9H2,1-2H3/t14-,15+,16-/m1/s1
• InChI Key: SIHKZQDGUPOURP-OWCLPIDISA-N
• Popularity: 1 reference in papers

Physical and Chemical Properties

• Molecular Formula: C₁₆H₂₂O₃
• Molecular Weight: 262.34 g/mol
• Exact Mass: 262.15689456 g/mol
• Topological Polar Surface Area (TPSA): 60.70 Ų
• XlogP: 3.00

Synonyms

• (5R,8As,10aR)-5,8a-dimethyl-6,7,8,9,10,10a-hexahydroanthracene-1,4,5-triol
• RefChem:127974
• 1005383-28-7

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	98.61%	91.11%
CHEMBL2996	Q05655	Protein kinase C delta	94.91%	97.79%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	91.82%	96.09%
CHEMBL4224	P49759	Dual specificty protein kinase CLK1	91.60%	85.30%
CHEMBL3137262	O60341	LSD1/CoREST complex	90.89%	97.09%
CHEMBL253	P34972	Cannabinoid CB2 receptor	89.51%	97.25%
CHEMBL221	P23219	Cyclooxygenase-1	87.10%	90.17%
CHEMBL1937	Q92769	Histone deacetylase 2	86.81%	94.75%
CHEMBL2581	P07339	Cathepsin D	86.24%	98.95%
CHEMBL241	Q14432	Phosphodiesterase 3A	85.34%	92.94%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	83.75%	95.56%
CHEMBL3192	Q9BY41	Histone deacetylase 8	82.62%	93.99%
CHEMBL1293249	Q13887	Kruppel-like factor 5	81.83%	86.33%
CHEMBL4208	P20618	Proteasome component C5	81.50%	90.00%

Plants that contains it

• Cordia fragrantissima

Cross-Links

• PubChem: 24770028
• LOTUS: LTS0212148
• wikiData: Q105253750