5,7-Dimethoxy-9,10-dihydrophenanthrene-2,4,6-triol

Details

• Internal ID: 16bdb754-26e4-4630-b017-bf22519800d0
• Taxonomy: Benzenoids > Phenanthrenes and derivatives > Hydrophenanthrenes
• IUPAC Name: 5,7-dimethoxy-9,10-dihydrophenanthrene-2,4,6-triol
• InChI: InChI=1S/C16H16O5/c1-20-12-6-9-4-3-8-5-10(17)7-11(18)13(8)14(9)16(21-2)15(12)19/h5-7,17-19H,3-4H2,1-2H3
• InChI Key: UKUPIFBNLKECPT-UHFFFAOYSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₆H₁₆O₅
• Molecular Weight: 288.29 g/mol
• Exact Mass: 288.09977361 g/mol
• Topological Polar Surface Area (TPSA): 79.20 Ų
• XlogP: 2.70

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	98.82%	91.11%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	92.82%	96.09%
CHEMBL4208	P20618	Proteasome component C5	88.92%	90.00%
CHEMBL215	P09917	Arachidonate 5-lipoxygenase	88.86%	92.68%
CHEMBL3060	Q9Y345	Glycine transporter 2	88.34%	99.17%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	88.24%	94.45%
CHEMBL1293249	Q13887	Kruppel-like factor 5	86.86%	86.33%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	86.86%	95.56%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	86.64%	94.00%
CHEMBL2056	P21728	Dopamine D1 receptor	85.34%	91.00%
CHEMBL2535	P11166	Glucose transporter	84.76%	98.75%
CHEMBL1163101	O75460	Serine/threonine-protein kinase/endoribonuclease IRE1	84.25%	98.11%
CHEMBL217	P14416	Dopamine D2 receptor	81.90%	95.62%
CHEMBL2581	P07339	Cathepsin D	81.72%	98.95%
CHEMBL2041	P07949	Tyrosine-protein kinase receptor RET	81.05%	91.79%

Plants that contains it

• Calanthe discolor

Cross-Links

• PubChem: 10446799
• LOTUS: LTS0079688
• wikiData: Q105274916