4-O-Methylpinosylvic acid

Details

• Internal ID: 39f76413-1abc-443c-8376-dab8eea73efc
• Taxonomy: Phenylpropanoids and polyketides > Stilbenes
• IUPAC Name: 2-hydroxy-4-methoxy-6-[(E)-2-phenylethenyl]benzoic acid
• SMILES (Canonical): COC1=CC(=C(C(=C1)O)C(=O)O)C=CC2=CC=CC=C2
• SMILES (Isomeric): COC1=CC(=C(C(=C1)O)C(=O)O)/C=C/C2=CC=CC=C2
• InChI: InChI=1S/C16H14O4/c1-20-13-9-12(15(16(18)19)14(17)10-13)8-7-11-5-3-2-4-6-11/h2-10,17H,1H3,(H,18,19)/b8-7+
• InChI Key: PICDNGANOHNCPT-BQYQJAHWSA-N
• Popularity: 1 reference in papers

Physical and Chemical Properties

• Molecular Formula: C₁₆H₁₄O₄
• Molecular Weight: 270.28 g/mol
• Exact Mass: 270.08920892 g/mol
• Topological Polar Surface Area (TPSA): 66.80 Ų
• XlogP: 3.90

Synonyms

• SCHEMBL2222203
• CHEMBL3596974
• CHEBI:174558
• DTXSID601312547
• 2-Hydroxy-4-methoxy-6-styrylbenzoic acid
• 2-hydroxy-4-methoxy-6-[(E)-2-phenylethenyl]benzoic acid
• NCGC00385330-01!2-hydroxy-4-methoxy-6-[(E)-2-phenylethenyl]benzoic acid
• 149697-30-3

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	97.79%	91.11%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	96.74%	95.56%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	95.67%	96.00%
CHEMBL1293249	Q13887	Kruppel-like factor 5	94.17%	86.33%
CHEMBL3194	P02766	Transthyretin	93.50%	90.71%
CHEMBL1821	P08173	Muscarinic acetylcholine receptor M4	91.13%	94.08%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	89.93%	96.09%
CHEMBL1860	P10827	Thyroid hormone receptor alpha	88.63%	99.15%
CHEMBL2035	P08912	Muscarinic acetylcholine receptor M5	88.56%	94.62%
CHEMBL3091268	Q92753	Nuclear receptor ROR-beta	87.79%	95.50%
CHEMBL4208	P20618	Proteasome component C5	87.34%	90.00%
CHEMBL2581	P07339	Cathepsin D	86.18%	98.95%
CHEMBL3192	Q9BY41	Histone deacetylase 8	85.58%	93.99%
CHEMBL3401	O75469	Pregnane X receptor	84.33%	94.73%
CHEMBL3060	Q9Y345	Glycine transporter 2	84.27%	99.17%
CHEMBL2535	P11166	Glucose transporter	83.28%	98.75%
CHEMBL2288	Q13526	Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1	81.55%	91.71%

Plants that contains it

• Cajanus cajan

Cross-Links

• PubChem: 67322417
• LOTUS: LTS0254370
• wikiData: Q76755432