5-(3-Hydroxyprop-1-enyl)-2-methoxyphenol

Details

• Internal ID: e14aff17-44fd-4433-b0e8-929652d2a8a5
• Taxonomy: Benzenoids > Phenols > Methoxyphenols
• IUPAC Name: 5-(3-hydroxyprop-1-enyl)-2-methoxyphenol
• SMILES (Canonical): COC1=C(C=C(C=C1)C=CCO)O
• SMILES (Isomeric): COC1=C(C=C(C=C1)C=CCO)O
• InChI: InChI=1S/C10H12O3/c1-13-10-5-4-8(3-2-6-11)7-9(10)12/h2-5,7,11-12H,6H2,1H3
• InChI Key: RTYQTTPTUBTOOF-UHFFFAOYSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₀H₁₂O₃
• Molecular Weight: 180.20 g/mol
• Exact Mass: 180.078644241 g/mol
• Topological Polar Surface Area (TPSA): 49.70 Ų
• XlogP: 1.40

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
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	95.88%	91.11%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	94.84%	96.00%
CHEMBL1293249	Q13887	Kruppel-like factor 5	94.16%	86.33%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	93.53%	96.09%
CHEMBL3194	P02766	Transthyretin	90.96%	90.71%
CHEMBL3060	Q9Y345	Glycine transporter 2	89.09%	99.17%
CHEMBL1951	P21397	Monoamine oxidase A	88.78%	91.49%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	88.72%	95.56%
CHEMBL2288	Q13526	Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1	86.68%	91.71%
CHEMBL1255126	O15151	Protein Mdm4	84.69%	90.20%
CHEMBL4208	P20618	Proteasome component C5	84.36%	90.00%
CHEMBL225	P28335	Serotonin 2c (5-HT2c) receptor	84.27%	89.62%
CHEMBL3492	P49721	Proteasome Macropain subunit	80.67%	90.24%

Plants that contains it

• Arum italicum
• Codonopsis pilosula

Cross-Links

• PubChem: 79334673
• LOTUS: LTS0197950
• wikiData: Q105245496