vogelin C

Details

• Internal ID: 8018cbb4-2780-4acb-a4ca-c29ed7f4ed89
• Taxonomy: Phenylpropanoids and polyketides > Flavonoids > Flavones > 2-prenylated flavones
• IUPAC Name: 2-[3,5-dihydroxy-2-(3-methylbut-2-enyl)phenyl]-5,7-dihydroxy-8-(3-methylbut-2-enyl)chromen-4-one
• SMILES (Canonical): CC(=CCC1=C(C=C(C=C1O)O)C2=CC(=O)C3=C(C=C(C(=C3O2)CC=C(C)C)O)O)C
• SMILES (Isomeric): CC(=CCC1=C(C=C(C=C1O)O)C2=CC(=O)C3=C(C=C(C(=C3O2)CC=C(C)C)O)O)C
• InChI: InChI=1S/C25H26O6/c1-13(2)5-7-16-18(9-15(26)10-19(16)27)23-12-22(30)24-21(29)11-20(28)17(25(24)31-23)8-6-14(3)4/h5-6,9-12,26-29H,7-8H2,1-4H3
• InChI Key: XHUUNCPHYWVGFZ-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): 107.00 Ų
• XlogP: 6.20

Synonyms

• CHEMBL402391

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	97.99%	91.11%
CHEMBL1951	P21397	Monoamine oxidase A	97.81%	91.49%
CHEMBL2581	P07339	Cathepsin D	96.32%	98.95%
CHEMBL3401	O75469	Pregnane X receptor	94.28%	94.73%
CHEMBL1806	P11388	DNA topoisomerase II alpha	91.61%	89.00%
CHEMBL1293267	Q9HC97	G-protein coupled receptor 35	90.64%	89.34%
CHEMBL3038469	P24941	CDK2/Cyclin A	88.35%	91.38%
CHEMBL3194	P02766	Transthyretin	87.50%	90.71%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	86.66%	95.56%
CHEMBL1293249	Q13887	Kruppel-like factor 5	86.35%	86.33%
CHEMBL4793	Q86TI2	Dipeptidyl peptidase IX	85.93%	96.95%
CHEMBL3060	Q9Y345	Glycine transporter 2	85.45%	99.17%
CHEMBL308	P06493	Cyclin-dependent kinase 1	82.59%	91.73%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	81.69%	94.00%

Plants that contains it

• Erythrina subumbrans
• Erythrina vogelii

Cross-Links

• PubChem: 44448192
• LOTUS: LTS0071427
• wikiData: Q104401295