Virgataxanthone A

Details

• Internal ID: 0e66514f-9a43-4198-97e0-00fb847116a6
• Taxonomy: Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Xanthones > 8-prenylated xanthones
• IUPAC Name: 4-[(2Z)-3,7-dimethylocta-2,6-dienyl]-1,3,5,6-tetrahydroxy-8-(3-methylbut-2-enyl)xanthen-9-one
• InChI: InChI=1S/C28H32O6/c1-15(2)7-6-8-17(5)10-12-19-20(29)14-21(30)24-26(33)23-18(11-9-16(3)4)13-22(31)25(32)28(23)34-27(19)24/h7,9-10,13-14,29-32H,6,8,11-12H2,1-5H3/b17-10-
• InChI Key: QAOGQIBMQCOARS-YVLHZVERSA-N
• Popularity: 1 reference in papers

Physical and Chemical Properties

• Molecular Formula: C₂₈H₃₂O₆
• Molecular Weight: 464.50 g/mol
• Exact Mass: 464.21988874 g/mol
• Topological Polar Surface Area (TPSA): 107.00 Ų
• XlogP: 7.80

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	99.70%	91.11%
CHEMBL1293267	Q9HC97	G-protein coupled receptor 35	97.07%	89.34%
CHEMBL3401	O75469	Pregnane X receptor	96.70%	94.73%
CHEMBL2581	P07339	Cathepsin D	92.58%	98.95%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	89.89%	94.45%
CHEMBL1951	P21397	Monoamine oxidase A	87.12%	91.49%
CHEMBL3060	Q9Y345	Glycine transporter 2	86.80%	99.17%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	86.72%	95.56%
CHEMBL1806	P11388	DNA topoisomerase II alpha	85.68%	89.00%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	85.61%	94.00%
CHEMBL1293255	P15428	15-hydroxyprostaglandin dehydrogenase [NAD+]	85.24%	83.57%
CHEMBL1293249	Q13887	Kruppel-like factor 5	84.53%	86.33%
CHEMBL4769	O95749	Geranylgeranyl pyrophosphate synthetase	84.19%	92.08%
CHEMBL3038469	P24941	CDK2/Cyclin A	80.96%	91.38%

Plants that contains it

• Garcinia virgata

Cross-Links

• PubChem: 101361830
• LOTUS: LTS0057613
• wikiData: Q105217539