Drimiopsin C

Details

• Internal ID: dd42e0f4-7605-4444-9b49-2c52fa4d4f7e
• Taxonomy: Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Xanthones
• IUPAC Name: 1,3,6-trihydroxy-2-methoxy-8-methylxanthen-9-one
• SMILES (Canonical): CC1=CC(=CC2=C1C(=O)C3=C(O2)C=C(C(=C3O)OC)O)O
• SMILES (Isomeric): CC1=CC(=CC2=C1C(=O)C3=C(O2)C=C(C(=C3O)OC)O)O
• InChI: InChI=1S/C15H12O6/c1-6-3-7(16)4-9-11(6)13(18)12-10(21-9)5-8(17)15(20-2)14(12)19/h3-5,16-17,19H,1-2H3
• InChI Key: IMMSZLMLFUYPBT-UHFFFAOYSA-N
• Popularity: 1 reference in papers

Physical and Chemical Properties

• Molecular Formula: C₁₅H₁₂O₆
• Molecular Weight: 288.25 g/mol
• Exact Mass: 288.06338810 g/mol
• Topological Polar Surface Area (TPSA): 96.20 Ų
• XlogP: 2.80

Synonyms

• 773850-90-1
• 1,3,6-trihydroxy-2-methoxy-8-methyl-9h-xanthen-9-one
• 1,3,6-Trihydroxy-2-methoxy-8-methylxanthen-9-one
• AKOS032948186
• FS-9028

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	97.86%	91.11%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	94.81%	94.00%
CHEMBL1806	P11388	DNA topoisomerase II alpha	91.28%	89.00%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	89.88%	95.56%
CHEMBL5409	Q8TDU6	G-protein coupled bile acid receptor 1	88.05%	93.65%
CHEMBL3401	O75469	Pregnane X receptor	87.77%	94.73%
CHEMBL3194	P02766	Transthyretin	87.56%	90.71%
CHEMBL1293249	Q13887	Kruppel-like factor 5	87.55%	86.33%
CHEMBL1913	P09619	Platelet-derived growth factor receptor beta	86.79%	95.70%
CHEMBL1860	P10827	Thyroid hormone receptor alpha	86.77%	99.15%
CHEMBL2581	P07339	Cathepsin D	84.75%	98.95%
CHEMBL3864	Q06124	Protein-tyrosine phosphatase 2C	84.13%	94.42%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	84.06%	99.23%
CHEMBL3060	Q9Y345	Glycine transporter 2	83.98%	99.17%
CHEMBL4208	P20618	Proteasome component C5	81.59%	90.00%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	81.39%	94.45%

Plants that contains it

• Drimiopsis maculata

Cross-Links

• PubChem: 11254733
• LOTUS: LTS0191824
• wikiData: Q105347643