(+)-4',6'-Dimethoxy[(S)-2,3'-allylidenediphenol]

Details

• Internal ID: 4a8bddce-f525-40e6-a25e-219b6c946f0f
• Taxonomy: Benzenoids > Benzene and substituted derivatives > Diphenylmethanes
• IUPAC Name: 5-[1-(2-hydroxyphenyl)prop-2-enyl]-2,4-dimethoxyphenol
• SMILES (Canonical): COC1=CC(=C(C=C1C(C=C)C2=CC=CC=C2O)O)OC
• SMILES (Isomeric): COC1=CC(=C(C=C1C(C=C)C2=CC=CC=C2O)O)OC
• InChI: InChI=1S/C17H18O4/c1-4-11(12-7-5-6-8-14(12)18)13-9-15(19)17(21-3)10-16(13)20-2/h4-11,18-19H,1H2,2-3H3
• InChI Key: OJVQOGDGFIJYPN-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₇H₁₈O₄
• Molecular Weight: 286.32 g/mol
• Exact Mass: 286.12050905 g/mol
• Topological Polar Surface Area (TPSA): 58.90 Ų
• XlogP: 3.70

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	98.24%	91.11%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	93.36%	95.56%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	90.69%	96.09%
CHEMBL2581	P07339	Cathepsin D	88.06%	98.95%
CHEMBL225	P28335	Serotonin 2c (5-HT2c) receptor	86.54%	89.62%
CHEMBL1293249	Q13887	Kruppel-like factor 5	85.57%	86.33%
CHEMBL1255126	O15151	Protein Mdm4	84.75%	90.20%
CHEMBL2535	P11166	Glucose transporter	84.04%	98.75%
CHEMBL3060	Q9Y345	Glycine transporter 2	83.36%	99.17%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	81.39%	96.00%

Plants that contains it

• Dalbergia cochinchinensis
• Dalbergia odorifera
• Dalbergia parviflora

Cross-Links

• PubChem: 3885509
• LOTUS: LTS0107648
• wikiData: Q105193327