dodoviscin H

Details

• Internal ID: 74dae2a7-02f7-47a5-b505-15924eea99ca
• Taxonomy: Phenylpropanoids and polyketides > Flavonoids > Flavones > 3-prenylated flavones
• IUPAC Name: 5,7-dihydroxy-2-[4-hydroxy-3-(4-hydroxy-3-methylbutyl)-5-(3-methylbut-2-enyl)phenyl]-3-methoxychromen-4-one
• SMILES (Canonical): CC(CCC1=C(C(=CC(=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC)CC=C(C)C)O)CO
• SMILES (Isomeric): CC(CCC1=C(C(=CC(=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC)CC=C(C)C)O)CO
• InChI: InChI=1S/C26H30O7/c1-14(2)5-7-16-9-18(10-17(23(16)30)8-6-15(3)13-27)25-26(32-4)24(31)22-20(29)11-19(28)12-21(22)33-25/h5,9-12,15,27-30H,6-8,13H2,1-4H3
• InChI Key: DJUDTARIJQVMAT-UHFFFAOYSA-N
• Popularity: 1 reference in papers

Physical and Chemical Properties

• Molecular Formula: C₂₆H₃₀O₇
• Molecular Weight: 454.50 g/mol
• Exact Mass: 454.19915329 g/mol
• Topological Polar Surface Area (TPSA): 116.00 Ų
• XlogP: 5.50

Synonyms

• 1372527-39-3
• 5,7-dihydroxy-2-[4-hydroxy-3-(4-hydroxy-3-methylbutyl)-5-(3-methylbut-2-enyl)phenyl]-3-methoxychromen-4-one
• CHEMBL2037153
• AKOS032948937
• FS-8602
• 4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-[4-hydroxy-3-(4-hydroxy-3-methylbutyl)-5-(3-methyl-2-buten-1-yl)phenyl]-3-methoxy-, (-)-

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	99.51%	91.11%
CHEMBL2581	P07339	Cathepsin D	97.84%	98.95%
CHEMBL1929	P47989	Xanthine dehydrogenase	96.14%	96.12%
CHEMBL3401	O75469	Pregnane X receptor	95.42%	94.73%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	95.02%	94.45%
CHEMBL1806	P11388	DNA topoisomerase II alpha	93.69%	89.00%
CHEMBL3060	Q9Y345	Glycine transporter 2	93.53%	99.17%
CHEMBL1293249	Q13887	Kruppel-like factor 5	93.17%	86.33%
CHEMBL1860	P10827	Thyroid hormone receptor alpha	90.54%	99.15%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	89.33%	94.00%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	87.73%	96.00%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	87.21%	96.09%
CHEMBL5845	P23415	Glycine receptor subunit alpha-1	86.22%	90.71%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	86.04%	95.56%
CHEMBL1937	Q92769	Histone deacetylase 2	84.41%	94.75%
CHEMBL3091268	Q92753	Nuclear receptor ROR-beta	83.07%	95.50%
CHEMBL3192	Q9BY41	Histone deacetylase 8	82.54%	93.99%
CHEMBL1293267	Q9HC97	G-protein coupled receptor 35	82.27%	89.34%
CHEMBL3194	P02766	Transthyretin	82.25%	90.71%
CHEMBL2373	P21730	C5a anaphylatoxin chemotactic receptor	81.39%	92.62%

Plants that contains it

• Dodonaea viscosa

Cross-Links

• PubChem: 57408288
• LOTUS: LTS0146952
• wikiData: Q104982826