Forbexanthone

Details

• Internal ID: a8d4c02a-4e78-4382-9b5a-3efa972a9032
• Taxonomy: Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Xanthones > Pyranoxanthones
• IUPAC Name: 7,12-dihydroxy-9-methoxy-2,2-dimethylpyrano[3,2-b]xanthen-6-one
• SMILES (Canonical): CC1(C=CC2=CC3=C(C(=C2O1)O)OC4=CC(=CC(=C4C3=O)O)OC)C
• SMILES (Isomeric): CC1(C=CC2=CC3=C(C(=C2O1)O)OC4=CC(=CC(=C4C3=O)O)OC)C
• InChI: InChI=1S/C19H16O6/c1-19(2)5-4-9-6-11-15(21)14-12(20)7-10(23-3)8-13(14)24-18(11)16(22)17(9)25-19/h4-8,20,22H,1-3H3
• InChI Key: FDTSMQAHJQWMRR-UHFFFAOYSA-N
• Popularity: 8 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₉H₁₆O₆
• Molecular Weight: 340.30 g/mol
• Exact Mass: 340.09468823 g/mol
• Topological Polar Surface Area (TPSA): 85.20 Ų
• XlogP: 3.70

Synonyms

• 7,12-dihydroxy-9-methoxy-2,2-dimethyl-pyrano[3,2-b]xanthen-6-one
• 7,12-dihydroxy-9-methoxy-2,2-dimethyl-2h,6h-pyrano[3,2-b]xanthen-6-one

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	99.59%	91.11%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	97.93%	85.14%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	97.07%	94.45%
CHEMBL1951	P21397	Monoamine oxidase A	96.90%	91.49%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	94.17%	94.00%
CHEMBL1806	P11388	DNA topoisomerase II alpha	93.37%	89.00%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	92.50%	95.56%
CHEMBL1860	P10827	Thyroid hormone receptor alpha	90.34%	99.15%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	89.97%	99.23%
CHEMBL3192	Q9BY41	Histone deacetylase 8	88.33%	93.99%
CHEMBL4208	P20618	Proteasome component C5	87.58%	90.00%
CHEMBL2581	P07339	Cathepsin D	84.85%	98.95%
CHEMBL3864	Q06124	Protein-tyrosine phosphatase 2C	84.13%	94.42%
CHEMBL2535	P11166	Glucose transporter	81.79%	98.75%
CHEMBL4051	P13569	Cystic fibrosis transmembrane conductance regulator	81.52%	95.71%
CHEMBL3401	O75469	Pregnane X receptor	81.10%	94.73%
CHEMBL1293249	Q13887	Kruppel-like factor 5	81.04%	86.33%
CHEMBL3060	Q9Y345	Glycine transporter 2	80.94%	99.17%

Plants that contains it

• Allanblackia gabonensis
• Garcinia buchneri
• Garcinia forbesii
• Garcinia nigrolineata

Cross-Links

• PubChem: 49775753
• LOTUS: LTS0056860
• wikiData: Q104399389