Lathyroxin B

Details

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Internal ID 65f2c569-4d6e-4518-844d-369ebc60a2b2
Taxonomy Benzenoids > Phenols > 1-hydroxy-2-unsubstituted benzenoids
IUPAC Name (2R)-3-(4-hydroxyphenyl)propane-1,2-diol
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C9H12O3/c10-6-9(12)5-7-1-3-8(11)4-2-7/h1-4,9-12H,5-6H2/t9-/m1/s1
InChI Key YUBJKXYXGZMUGT-SECBINFHSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C9H12O3
Molecular Weight 168.19 g/mol
Exact Mass 168.078644241 g/mol
Topological Polar Surface Area (TPSA) 60.70 Ų
XlogP 0.50

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of Lathyroxin B

3D Structure

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ADMET Properties (via admetSAR 2)

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Target Value Probability (raw) Probability (%)
No predicted properties yet!

Targets

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Proven Targets:

CHEMBL ID UniProt ID Name Min activity Assay type Source
No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID UniProt ID Name Probability Model accuracy
CHEMBL2581 P07339 Cathepsin D 94.89% 98.95%
CHEMBL242 Q92731 Estrogen receptor beta 92.91% 98.35%
CHEMBL2288 Q13526 Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 87.56% 91.71%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 86.37% 96.09%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 86.26% 91.11%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 84.82% 94.45%
CHEMBL3060 Q9Y345 Glycine transporter 2 83.74% 99.17%
CHEMBL301 P24941 Cyclin-dependent kinase 2 83.72% 91.23%
CHEMBL1907594 P30926 Neuronal acetylcholine receptor; alpha3/beta4 81.08% 97.23%
CHEMBL1255126 O15151 Protein Mdm4 80.35% 90.20%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
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There are no matching plants.

Cross-Links

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PubChem 124355531
LOTUS LTS0051607
wikiData Q105362574