Dihydrotricin

Details

• Internal ID: 6d35588e-e406-467b-a19d-576566aa6f9c
• Taxonomy: Phenylpropanoids and polyketides > 2-arylbenzofuran flavonoids
• IUPAC Name: (2S,3R,4R,5S,6R)-2-[2,6-dihydroxy-4-[(2R,3R)-6-hydroxy-2-(4-hydroxyphenyl)-4-[(E)-2-(4-hydroxyphenyl)ethenyl]-7-[(2R,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]-2,3-dihydro-1-benzofuran-3-yl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol
• InChI: InChI=1S/C40H42O16/c41-14-25-33(49)35(51)36(52)39(54-25)29-22(45)12-19(13-23(29)46)28-27-18(4-1-16-2-7-20(43)8-3-16)11-24(47)30(31-34(50)32(48)26(15-42)55-40(31)53)38(27)56-37(28)17-5-9-21(44)10-6-17/h1-13,25-26,28,31-37,39-53H,14-15H2/b4-1+/t25-,26-,28-,31-,32-,33-,34-,35+,36-,37+,39+,40-/m1/s1
• InChI Key: VDNPAQILRRZMAJ-PNRICSSHSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₄₀H₄₂O₁₆
• Molecular Weight: 778.70 g/mol
• Exact Mass: 778.24728525 g/mol
• Topological Polar Surface Area (TPSA): 291.00 Ų
• XlogP: 0.80

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	99.48%	91.11%
CHEMBL4040	P28482	MAP kinase ERK2	99.01%	83.82%
CHEMBL226	P30542	Adenosine A1 receptor	92.96%	95.93%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	92.71%	96.00%
CHEMBL1806	P11388	DNA topoisomerase II alpha	92.67%	89.00%
CHEMBL3194	P02766	Transthyretin	92.44%	90.71%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	90.42%	96.09%
CHEMBL3401	O75469	Pregnane X receptor	90.13%	94.73%
CHEMBL3137262	O60341	LSD1/CoREST complex	90.11%	97.09%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	88.37%	95.56%
CHEMBL242	Q92731	Estrogen receptor beta	85.89%	98.35%
CHEMBL3060	Q9Y345	Glycine transporter 2	84.53%	99.17%
CHEMBL5678	P34947	G protein-coupled receptor kinase 5	84.24%	88.00%
CHEMBL1293249	Q13887	Kruppel-like factor 5	83.61%	86.33%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	81.57%	94.45%
CHEMBL1860	P10827	Thyroid hormone receptor alpha	80.76%	99.15%
CHEMBL2107	P61073	C-X-C chemokine receptor type 4	80.03%	93.10%

Plants that contains it

• Rubroshorea hemsleyana

Cross-Links

• PubChem: 101073245
• LOTUS: LTS0206373
• wikiData: Q105284277