Physcionin

Details

• Internal ID: 63f4c969-3dd4-47c4-9590-ffa59f96ec64
• Taxonomy: Benzenoids > Anthracenes > Anthraquinones
• IUPAC Name: 1-hydroxy-6-methoxy-3-methyl-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyanthracene-9,10-dione
• SMILES (Canonical): CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=C(C=C3OC4C(C(C(C(O4)CO)O)O)O)OC
• SMILES (Isomeric): CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=C(C=C3OC4C(C(C(C(O4)CO)O)O)O)OC
• InChI: InChI=1S/C22H22O10/c1-8-3-10-15(12(24)4-8)19(27)16-11(17(10)25)5-9(30-2)6-13(16)31-22-21(29)20(28)18(26)14(7-23)32-22/h3-6,14,18,20-24,26,28-29H,7H2,1-2H3
• InChI Key: POMKXWCJRHNLRP-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₂H₂₂O₁₀
• Molecular Weight: 446.40 g/mol
• Exact Mass: 446.12129689 g/mol
• Topological Polar Surface Area (TPSA): 163.00 Ų
• XlogP: 1.20

Synonyms

• 1-hydroxy-6-methoxy-3-methyl-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyanthracene-9,10-dione
• Physcion 8-beta-D-glucoside
• SCHEMBL23366483
• CHEBI:191707
• Physcion-8-O-EC-D-glucopyranoside
• B0005-464836

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	97.89%	91.11%
CHEMBL2581	P07339	Cathepsin D	95.87%	98.95%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	95.83%	95.56%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	94.82%	85.14%
CHEMBL3880	P07900	Heat shock protein HSP 90-alpha	94.40%	96.21%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	94.07%	94.00%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	93.73%	96.09%
CHEMBL1806	P11388	DNA topoisomerase II alpha	92.70%	89.00%
CHEMBL3401	O75469	Pregnane X receptor	92.64%	94.73%
CHEMBL1860	P10827	Thyroid hormone receptor alpha	90.24%	99.15%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	89.83%	99.23%
CHEMBL4208	P20618	Proteasome component C5	88.19%	90.00%
CHEMBL226	P30542	Adenosine A1 receptor	87.94%	95.93%
CHEMBL3714130	P46095	G-protein coupled receptor 6	86.54%	97.36%
CHEMBL4016	P42262	Glutamate receptor ionotropic, AMPA 2	86.29%	86.92%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	85.03%	96.00%
CHEMBL3060	Q9Y345	Glycine transporter 2	83.04%	99.17%
CHEMBL4793	Q86TI2	Dipeptidyl peptidase IX	81.61%	96.95%
CHEMBL1293249	Q13887	Kruppel-like factor 5	80.84%	86.33%
CHEMBL4581	P52732	Kinesin-like protein 1	80.73%	93.18%
CHEMBL5608	Q16288	NT-3 growth factor receptor	80.23%	95.89%

Plants that contains it

• Rheum palmatum
• Saururus chinensis
• Selaginella delicatula
• Senna septemtrionalis

Cross-Links

• PubChem: 4484071
• LOTUS: LTS0053381
• wikiData: Q104399470