Tamadone

Details

• Internal ID: 9f6ff840-0266-475b-be08-f4c70c4e4b51
• Taxonomy: Phenylpropanoids and polyketides > Flavonoids > O-methylated flavonoids > 8-O-methylated flavonoids
• IUPAC Name: 2-(2,4-dihydroxyphenyl)-5-hydroxy-6,7,8-trimethoxychromen-4-one
• SMILES (Canonical): COC1=C(C(=C2C(=C1O)C(=O)C=C(O2)C3=C(C=C(C=C3)O)O)OC)OC
• SMILES (Isomeric): COC1=C(C(=C2C(=C1O)C(=O)C=C(O2)C3=C(C=C(C=C3)O)O)OC)OC
• InChI: InChI=1S/C18H16O8/c1-23-16-14(22)13-11(21)7-12(9-5-4-8(19)6-10(9)20)26-15(13)17(24-2)18(16)25-3/h4-7,19-20,22H,1-3H3
• InChI Key: HAJJOCMWAKZDQM-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₈H₁₆O₈
• Molecular Weight: 360.30 g/mol
• Exact Mass: 360.08451746 g/mol
• Topological Polar Surface Area (TPSA): 115.00 Ų
• XlogP: 2.60

Synonyms

• LMPK12111507

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	98.94%	91.11%
CHEMBL2581	P07339	Cathepsin D	96.74%	98.95%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	94.42%	94.00%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	91.65%	95.56%
CHEMBL3194	P02766	Transthyretin	91.33%	90.71%
CHEMBL1806	P11388	DNA topoisomerase II alpha	90.77%	89.00%
CHEMBL242	Q92731	Estrogen receptor beta	90.41%	98.35%
CHEMBL1860	P10827	Thyroid hormone receptor alpha	89.73%	99.15%
CHEMBL1293249	Q13887	Kruppel-like factor 5	89.17%	86.33%
CHEMBL3401	O75469	Pregnane X receptor	85.49%	94.73%
CHEMBL3060	Q9Y345	Glycine transporter 2	84.95%	99.17%
CHEMBL2535	P11166	Glucose transporter	80.98%	98.75%
CHEMBL4208	P20618	Proteasome component C5	80.45%	90.00%

Plants that contains it

• Tamarix dioica

Cross-Links

• PubChem: 44258657
• LOTUS: LTS0199916
• wikiData: Q105024915