Eulophiol

Details

• Internal ID: 76e88678-bd67-4a4c-8aa2-b0bbd056c7ab
• Taxonomy: Benzenoids > Phenanthrenes and derivatives > Hydrophenanthrenes
• IUPAC Name: 2,7-dimethoxy-9,10-dihydrophenanthrene-1,5-diol
• SMILES (Canonical): COC1=C(C2=C(C=C1)C3=C(CC2)C=C(C=C3O)OC)O
• SMILES (Isomeric): COC1=C(C2=C(C=C1)C3=C(CC2)C=C(C=C3O)OC)O
• InChI: InChI=1S/C16H16O4/c1-19-10-7-9-3-4-12-11(15(9)13(17)8-10)5-6-14(20-2)16(12)18/h5-8,17-18H,3-4H2,1-2H3
• InChI Key: XCGSVZJXMLVULN-UHFFFAOYSA-N
• Popularity: 3 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₆H₁₆O₄
• Molecular Weight: 272.29 g/mol
• Exact Mass: 272.10485899 g/mol
• Topological Polar Surface Area (TPSA): 58.90 Ų
• XlogP: 3.10

Synonyms

• 87402-72-0
• starbld0000889
• SCHEMBL4234042
• CHEMBL2418387
• HY-N7518
• AKOS040762865
• CS-0131132
• 2,7-dimethoxy-9,10-dihydrophenanthrene-1,5-diol

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	97.91%	91.49%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	97.74%	91.11%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	94.07%	96.09%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	93.67%	95.56%
CHEMBL2041	P07949	Tyrosine-protein kinase receptor RET	92.06%	91.79%
CHEMBL2056	P21728	Dopamine D1 receptor	91.01%	91.00%
CHEMBL4208	P20618	Proteasome component C5	90.92%	90.00%
CHEMBL2581	P07339	Cathepsin D	89.79%	98.95%
CHEMBL2535	P11166	Glucose transporter	88.25%	98.75%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	87.56%	94.00%
CHEMBL5608	Q16288	NT-3 growth factor receptor	87.48%	95.89%
CHEMBL1293249	Q13887	Kruppel-like factor 5	86.82%	86.33%
CHEMBL3060	Q9Y345	Glycine transporter 2	86.20%	99.17%
CHEMBL1860	P10827	Thyroid hormone receptor alpha	85.92%	99.15%
CHEMBL242	Q92731	Estrogen receptor beta	84.63%	98.35%
CHEMBL5697	Q9GZT9	Egl nine homolog 1	84.57%	93.40%
CHEMBL215	P09917	Arachidonate 5-lipoxygenase	83.91%	92.68%
CHEMBL2002	P12268	Inosine-5'-monophosphate dehydrogenase 2	83.74%	98.21%
CHEMBL241	Q14432	Phosphodiesterase 3A	82.92%	92.94%
CHEMBL5747	Q92793	CREB-binding protein	81.27%	95.12%
CHEMBL3194	P02766	Transthyretin	80.10%	90.71%

Plants that contains it

• Eulophia nuda
• Pholidota chinensis

Cross-Links

• PubChem: 25261830
• LOTUS: LTS0052049
• wikiData: Q104399681