Sepil

Details

• Internal ID: 382e918f-bbd1-4085-b74e-af1c91475907
• Taxonomy: Phenylpropanoids and polyketides > Flavonoids > O-methylated flavonoids > 4-O-methylated flavonoids
• IUPAC Name: 2-(3,5-dihydroxy-4-methoxyphenyl)-3,7-dihydroxy-2,3-dihydrochromen-4-one
• SMILES (Canonical): COC1=C(C=C(C=C1O)C2C(C(=O)C3=C(O2)C=C(C=C3)O)O)O
• SMILES (Isomeric): COC1=C(C=C(C=C1O)C2C(C(=O)C3=C(O2)C=C(C=C3)O)O)O
• InChI: InChI=1S/C16H14O7/c1-22-16-10(18)4-7(5-11(16)19)15-14(21)13(20)9-3-2-8(17)6-12(9)23-15/h2-6,14-15,17-19,21H,1H3
• InChI Key: AFCZAKZBCYSVSS-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₆H₁₄O₇
• Molecular Weight: 318.28 g/mol
• Exact Mass: 318.07395278 g/mol
• Topological Polar Surface Area (TPSA): 116.00 Ų
• XlogP: 1.30

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	96.67%	91.11%
CHEMBL2581	P07339	Cathepsin D	94.09%	98.95%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	91.80%	96.09%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	90.74%	95.56%
CHEMBL1293249	Q13887	Kruppel-like factor 5	89.48%	86.33%
CHEMBL1806	P11388	DNA topoisomerase II alpha	89.01%	89.00%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	88.07%	94.00%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	87.68%	85.14%
CHEMBL2535	P11166	Glucose transporter	87.08%	98.75%
CHEMBL1951	P21397	Monoamine oxidase A	84.01%	91.49%
CHEMBL3060	Q9Y345	Glycine transporter 2	83.62%	99.17%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	83.59%	99.23%
CHEMBL1860	P10827	Thyroid hormone receptor alpha	82.29%	99.15%

Plants that contains it

• Sophora yunnanensis

Cross-Links

• PubChem: 91995564
• LOTUS: LTS0125575
• wikiData: Q104911004