Mephenesin

Details

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Internal ID 26e68adc-4cd0-4528-9f94-96db1278d979
Taxonomy Benzenoids > Phenol ethers
IUPAC Name 3-(2-methylphenoxy)propane-1,2-diol
SMILES (Canonical) CC1=CC=CC=C1OCC(CO)O
SMILES (Isomeric) CC1=CC=CC=C1OCC(CO)O
InChI InChI=1S/C10H14O3/c1-8-4-2-3-5-10(8)13-7-9(12)6-11/h2-5,9,11-12H,6-7H2,1H3
InChI Key JWDYCNIAQWPBHD-UHFFFAOYSA-N
Popularity 1,424 references in papers

Physical and Chemical Properties

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Molecular Formula C10H14O3
Molecular Weight 182.22 g/mol
Exact Mass 182.094294304 g/mol
Topological Polar Surface Area (TPSA) 49.70 Ų
XlogP 1.40

Synonyms

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59-47-2
Cresoxydiol
Decontractyl
Memphenesin
Mephenesine
Mephedan
Lissephen
Tolserol
Anatensin
Cresodiol
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of Mephenesin

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
CHEMBL1293226 B2RXH2 Lysine-specific demethylase 4D-like 25118.9 nM
Potency
via CMAUP

Predicted Targets (via Super-PRED):

CHEMBL ID UniProt ID Name Probability Model accuracy
CHEMBL2581 P07339 Cathepsin D 91.08% 98.95%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 90.56% 96.09%
CHEMBL225 P28335 Serotonin 2c (5-HT2c) receptor 90.02% 89.62%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 89.50% 96.00%
CHEMBL1293249 Q13887 Kruppel-like factor 5 88.26% 86.33%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 86.65% 95.56%
CHEMBL4208 P20618 Proteasome component C5 86.40% 90.00%
CHEMBL3091268 Q92753 Nuclear receptor ROR-beta 84.55% 95.50%
CHEMBL3902 P09211 Glutathione S-transferase Pi 83.39% 93.81%
CHEMBL3401 O75469 Pregnane X receptor 83.23% 94.73%
CHEMBL3060 Q9Y345 Glycine transporter 2 82.69% 99.17%
CHEMBL2035 P08912 Muscarinic acetylcholine receptor M5 81.75% 94.62%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
To see more specific details click the taxa you are interested in.
Foeniculum vulgare

Cross-Links

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PubChem 4059
NPASS NPC194034
ChEMBL CHEMBL229128
LOTUS LTS0085864
wikiData Q3333250