Vogelin G

Details

• Internal ID: 448c44c1-3cf6-4e56-96e7-3c2edd026ec7
• Taxonomy: Phenylpropanoids and polyketides > Isoflavonoids > Pyranoisoflavonoids
• IUPAC Name: 5,7-dihydroxy-3-[3-hydroxy-2,2-dimethyl-8-(3-methylbut-2-enyl)-3,4-dihydrochromen-6-yl]chromen-4-one
• SMILES (Canonical): CC(=CCC1=CC(=CC2=C1OC(C(C2)O)(C)C)C3=COC4=CC(=CC(=C4C3=O)O)O)C
• SMILES (Isomeric): CC(=CCC1=CC(=CC2=C1OC(C(C2)O)(C)C)C3=COC4=CC(=CC(=C4C3=O)O)O)C
• InChI: InChI=1S/C25H26O6/c1-13(2)5-6-14-7-15(8-16-9-21(28)25(3,4)31-24(14)16)18-12-30-20-11-17(26)10-19(27)22(20)23(18)29/h5,7-8,10-12,21,26-28H,6,9H2,1-4H3
• InChI Key: MYPYOQCSDUEJNS-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): 96.20 Ų
• XlogP: 5.00

Synonyms

• CHEMBL518341

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	99.76%	91.11%
CHEMBL2581	P07339	Cathepsin D	97.53%	98.95%
CHEMBL1929	P47989	Xanthine dehydrogenase	96.71%	96.12%
CHEMBL1806	P11388	DNA topoisomerase II alpha	95.23%	89.00%
CHEMBL1293249	Q13887	Kruppel-like factor 5	91.28%	86.33%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	90.41%	96.09%
CHEMBL3038469	P24941	CDK2/Cyclin A	89.60%	91.38%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	89.54%	95.56%
CHEMBL1994	P08235	Mineralocorticoid receptor	89.25%	100.00%
CHEMBL1937	Q92769	Histone deacetylase 2	89.11%	94.75%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	88.27%	94.45%
CHEMBL233	P35372	Mu opioid receptor	87.90%	97.93%
CHEMBL4040	P28482	MAP kinase ERK2	87.01%	83.82%
CHEMBL4051	P13569	Cystic fibrosis transmembrane conductance regulator	86.44%	95.71%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	86.34%	85.14%
CHEMBL3137262	O60341	LSD1/CoREST complex	86.14%	97.09%
CHEMBL3922	P50579	Methionine aminopeptidase 2	85.88%	97.28%
CHEMBL3401	O75469	Pregnane X receptor	85.68%	94.73%
CHEMBL3060	Q9Y345	Glycine transporter 2	82.89%	99.17%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	82.74%	99.23%
CHEMBL4208	P20618	Proteasome component C5	82.61%	90.00%
CHEMBL5845	P23415	Glycine receptor subunit alpha-1	80.53%	90.71%
CHEMBL5608	Q16288	NT-3 growth factor receptor	80.41%	95.89%

Plants that contains it

• Erythrina vogelii

Cross-Links

• PubChem: 11026226
• LOTUS: LTS0217856
• wikiData: Q105175099