Terprenin

Details

• Internal ID: c1b44c11-c7c3-4484-822d-e258fda7038d
• Taxonomy: Benzenoids > Benzene and substituted derivatives > Terphenyls > P-terphenyls
• IUPAC Name: 2-[3-hydroxy-4-(3-methylbut-2-enoxy)phenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol
• SMILES (Canonical): CC(=CCOC1=C(C=C(C=C1)C2=C(C=C(C(=C2O)OC)C3=CC=C(C=C3)O)OC)O)C
• SMILES (Isomeric): CC(=CCOC1=C(C=C(C=C1)C2=C(C=C(C(=C2O)OC)C3=CC=C(C=C3)O)OC)O)C
• InChI: InChI=1S/C25H26O6/c1-15(2)11-12-31-21-10-7-17(13-20(21)27)23-22(29-3)14-19(25(30-4)24(23)28)16-5-8-18(26)9-6-16/h5-11,13-14,26-28H,12H2,1-4H3
• InChI Key: XPNTUFZVLSDQBO-UHFFFAOYSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₅H₂₆O₆
• Molecular Weight: 422.50 g/mol
• Exact Mass: 422.17293854 g/mol
• Topological Polar Surface Area (TPSA): 88.40 Ų
• XlogP: 5.50

Synonyms

• SCHEMBL7860778
• CHEBI:67534
• Q27136003
• 2-[3-hydroxy-4-(3-methylbut-2-enoxy)phenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol
• 3',6'-dimethoxy-4-[(3-methylbut-2-en-1-yl)oxy]-1,1':4',1''-terphenyl-2',3,4''-triol

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	96.27%	91.11%
CHEMBL3060	Q9Y345	Glycine transporter 2	95.70%	99.17%
CHEMBL1293249	Q13887	Kruppel-like factor 5	95.69%	86.33%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	95.58%	96.09%
CHEMBL1860	P10827	Thyroid hormone receptor alpha	93.87%	99.15%
CHEMBL2581	P07339	Cathepsin D	93.31%	98.95%
CHEMBL242	Q92731	Estrogen receptor beta	93.24%	98.35%
CHEMBL1937	Q92769	Histone deacetylase 2	92.32%	94.75%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	92.17%	94.00%
CHEMBL5747	Q92793	CREB-binding protein	90.68%	95.12%
CHEMBL4208	P20618	Proteasome component C5	88.23%	90.00%
CHEMBL2107	P61073	C-X-C chemokine receptor type 4	87.12%	93.10%
CHEMBL5339	Q5NUL3	G-protein coupled receptor 120	85.75%	95.78%
CHEMBL1806	P11388	DNA topoisomerase II alpha	85.55%	89.00%
CHEMBL2288	Q13526	Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1	85.08%	91.71%
CHEMBL4355	O14976	Serine/threonine-protein kinase GAK	84.97%	89.32%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	84.39%	96.00%
CHEMBL1163101	O75460	Serine/threonine-protein kinase/endoribonuclease IRE1	84.31%	98.11%
CHEMBL3194	P02766	Transthyretin	83.87%	90.71%
CHEMBL1255126	O15151	Protein Mdm4	82.38%	90.20%
CHEMBL2535	P11166	Glucose transporter	82.06%	98.75%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	81.68%	94.45%
CHEMBL3401	O75469	Pregnane X receptor	81.62%	94.73%
CHEMBL1907603	Q05586	Glutamate NMDA receptor; GRIN1/GRIN2B	81.32%	95.89%
CHEMBL4793	Q86TI2	Dipeptidyl peptidase IX	81.09%	96.95%
CHEMBL241	Q14432	Phosphodiesterase 3A	80.74%	92.94%
CHEMBL225	P28335	Serotonin 2c (5-HT2c) receptor	80.56%	89.62%
CHEMBL4016	P42262	Glutamate receptor ionotropic, AMPA 2	80.44%	86.92%
CHEMBL3438	Q05513	Protein kinase C zeta	80.41%	88.48%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	80.00%	85.14%

Plants that contains it

• Acrostichum aureum
• Anthocleista procera
• Crepidiastrum denticulatum subsp. denticulatum
• Pseudognaphalium oligandrum
• Sideritis hirsuta
• Wulfenia orientalis

Cross-Links

• PubChem: 9932003
• NPASS: NPC117437
• LOTUS: LTS0035523
• wikiData: Q27136003