Calanphenanthrene A

Details

• Internal ID: 1cfc9386-dcec-4ec6-9371-3afbf45ffa6c
• Taxonomy: Benzenoids > Phenanthrenes and derivatives > Hydrophenanthrenes
• IUPAC Name: 4,7-dimethoxy-9,10-dihydrophenanthrene-3,5-diol
• SMILES (Canonical): COC1=CC2=C(C(=C1)O)C3=C(CC2)C=CC(=C3OC)O
• SMILES (Isomeric): COC1=CC2=C(C(=C1)O)C3=C(CC2)C=CC(=C3OC)O
• InChI: InChI=1S/C16H16O4/c1-19-11-7-10-4-3-9-5-6-12(17)16(20-2)15(9)14(10)13(18)8-11/h5-8,17-18H,3-4H2,1-2H3
• InChI Key: LCZKDANPQVRFKB-UHFFFAOYSA-N
• Popularity: 1 reference 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

• CHEMBL554588

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	98.77%	91.11%
CHEMBL1860	P10827	Thyroid hormone receptor alpha	92.92%	99.15%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	92.87%	95.56%
CHEMBL215	P09917	Arachidonate 5-lipoxygenase	91.54%	92.68%
CHEMBL2041	P07949	Tyrosine-protein kinase receptor RET	91.47%	91.79%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	91.08%	96.09%
CHEMBL4208	P20618	Proteasome component C5	91.04%	90.00%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	89.18%	94.45%
CHEMBL3192	Q9BY41	Histone deacetylase 8	87.23%	93.99%
CHEMBL2535	P11166	Glucose transporter	87.21%	98.75%
CHEMBL3060	Q9Y345	Glycine transporter 2	85.24%	99.17%
CHEMBL1951	P21397	Monoamine oxidase A	83.77%	91.49%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	81.95%	94.00%

Plants that contains it

• Calanthe arisanensis

Cross-Links

• PubChem: 25243459
• LOTUS: LTS0052155
• wikiData: Q104400321