6-(Hydroxylmethyl)-2,2-dimethyl-3,4-dihydro-2h-chromene-3,4-diol

Details

• Internal ID: 6a47272c-43f4-4672-bb9e-74660593ba80
• Taxonomy: Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > 2,2-dimethyl-1-benzopyrans
• IUPAC Name: 6-(hydroxymethyl)-2,2-dimethyl-3,4-dihydrochromene-3,4-diol
• InChI: InChI=1S/C12H16O4/c1-12(2)11(15)10(14)8-5-7(6-13)3-4-9(8)16-12/h3-5,10-11,13-15H,6H2,1-2H3
• InChI Key: ZACBNTNIKUDDES-UHFFFAOYSA-N
• Popularity: 1 reference in papers

Physical and Chemical Properties

• Molecular Formula: C₁₂H₁₆O₄
• Molecular Weight: 224.25 g/mol
• Exact Mass: 224.10485899 g/mol
• Topological Polar Surface Area (TPSA): 69.90 Ų
• XlogP: -0.10

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	96.16%	96.09%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	95.42%	91.11%
CHEMBL2581	P07339	Cathepsin D	94.42%	98.95%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	91.89%	94.45%
CHEMBL253	P34972	Cannabinoid CB2 receptor	88.36%	97.25%
CHEMBL5555	O00767	Acyl-CoA desaturase	83.98%	97.50%
CHEMBL4145	Q9UKV0	Histone deacetylase 9	83.08%	85.49%
CHEMBL1293249	Q13887	Kruppel-like factor 5	82.03%	86.33%
CHEMBL5608	Q16288	NT-3 growth factor receptor	81.75%	95.89%
CHEMBL3492	P49721	Proteasome Macropain subunit	81.61%	90.24%
CHEMBL3060	Q9Y345	Glycine transporter 2	80.70%	99.17%
CHEMBL2373	P21730	C5a anaphylatoxin chemotactic receptor	80.52%	92.62%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 162889301
• LOTUS: LTS0110614
• wikiData: Q104202235