Lathyroxin A

Details

• Internal ID: 20df92d2-0129-4b75-94c9-59f41da76a47
• Taxonomy: Benzenoids > Phenols > 1-hydroxy-2-unsubstituted benzenoids
• IUPAC Name: 4-[(2R)-2-hydroxy-3,3-dimethoxypropyl]phenol
• SMILES (Canonical): COC(C(CC1=CC=C(C=C1)O)O)OC
• SMILES (Isomeric): COC([C@@H](CC1=CC=C(C=C1)O)O)OC
• InChI: InChI=1S/C11H16O4/c1-14-11(15-2)10(13)7-8-3-5-9(12)6-4-8/h3-6,10-13H,7H2,1-2H3/t10-/m1/s1
• InChI Key: FAKXFXCYKZPCJQ-SNVBAGLBSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₁H₁₆O₄
• Molecular Weight: 212.24 g/mol
• Exact Mass: 212.10485899 g/mol
• Topological Polar Surface Area (TPSA): 58.90 Ų
• XlogP: 1.10

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
CHEMBL2581	P07339	Cathepsin D	97.46%	98.95%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	95.51%	96.09%
CHEMBL301	P24941	Cyclin-dependent kinase 2	90.24%	91.23%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	89.53%	94.45%
CHEMBL242	Q92731	Estrogen receptor beta	87.17%	98.35%
CHEMBL3060	Q9Y345	Glycine transporter 2	85.73%	99.17%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	84.51%	91.11%
CHEMBL3492	P49721	Proteasome Macropain subunit	82.52%	90.24%
CHEMBL5608	Q16288	NT-3 growth factor receptor	82.45%	95.89%
CHEMBL4208	P20618	Proteasome component C5	82.44%	90.00%
CHEMBL2288	Q13526	Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1	81.33%	91.71%
CHEMBL1293249	Q13887	Kruppel-like factor 5	81.09%	86.33%
CHEMBL3401	O75469	Pregnane X receptor	80.14%	94.73%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 139589962
• LOTUS: LTS0090806
• wikiData: Q104992308