1,7-Dimethylphenanthrene-2,6-diol

Details

• Internal ID: 74f3bb8a-2724-4b3d-90c1-9d6ebd5447c2
• Taxonomy: Benzenoids > Phenanthrenes and derivatives > Phenanthrols
• IUPAC Name: 1,7-dimethylphenanthrene-2,6-diol
• InChI: InChI=1S/C16H14O2/c1-9-7-11-3-4-12-10(2)15(17)6-5-13(12)14(11)8-16(9)18/h3-8,17-18H,1-2H3
• InChI Key: DFFOEEPIAZHYDY-UHFFFAOYSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₆H₁₄O₂
• Molecular Weight: 238.28 g/mol
• Exact Mass: 238.099379685 g/mol
• Topological Polar Surface Area (TPSA): 40.50 Ų
• XlogP: 4.40

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
CHEMBL1951	P21397	Monoamine oxidase A	96.27%	91.49%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	95.59%	91.11%
CHEMBL1860	P10827	Thyroid hormone receptor alpha	91.87%	99.15%
CHEMBL5409	Q8TDU6	G-protein coupled bile acid receptor 1	86.69%	93.65%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	86.64%	95.56%
CHEMBL225	P28335	Serotonin 2c (5-HT2c) receptor	85.69%	89.62%
CHEMBL215	P09917	Arachidonate 5-lipoxygenase	81.17%	92.68%
CHEMBL2581	P07339	Cathepsin D	80.99%	98.95%
CHEMBL4208	P20618	Proteasome component C5	80.86%	90.00%
CHEMBL3401	O75469	Pregnane X receptor	80.49%	94.73%

Plants that contains it

• Micrandropsis scleroxylon

Cross-Links

• PubChem: 71438254
• LOTUS: LTS0202581
• wikiData: Q104977842