Erigeside C

Details

• Internal ID: 20e89c26-8394-4d4b-a599-f044a2b466df
• Taxonomy: Phenylpropanoids and polyketides > Tannins > Hydrolyzable tannins
• IUPAC Name: [3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 4-hydroxy-3,5-dimethoxybenzoate
• SMILES (Canonical): COC1=CC(=CC(=C1O)OC)C(=O)OC2C(C(C(C(O2)CO)O)O)O
• SMILES (Isomeric): COC1=CC(=CC(=C1O)OC)C(=O)OC2C(C(C(C(O2)CO)O)O)O
• InChI: InChI=1S/C15H20O10/c1-22-7-3-6(4-8(23-2)10(7)17)14(21)25-15-13(20)12(19)11(18)9(5-16)24-15/h3-4,9,11-13,15-20H,5H2,1-2H3
• InChI Key: CIYLTHWUJCCASO-UHFFFAOYSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₅H₂₀O₁₀
• Molecular Weight: 360.31 g/mol
• Exact Mass: 360.10564683 g/mol
• Topological Polar Surface Area (TPSA): 155.00 Ų
• XlogP: -0.80

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	97.47%	91.11%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	97.34%	96.09%
CHEMBL3060	Q9Y345	Glycine transporter 2	94.27%	99.17%
CHEMBL1293249	Q13887	Kruppel-like factor 5	91.27%	86.33%
CHEMBL2581	P07339	Cathepsin D	88.83%	98.95%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	87.62%	94.00%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	86.03%	96.00%
CHEMBL1806	P11388	DNA topoisomerase II alpha	85.89%	89.00%
CHEMBL3401	O75469	Pregnane X receptor	84.37%	94.73%
CHEMBL3880	P07900	Heat shock protein HSP 90-alpha	82.88%	96.21%
CHEMBL3194	P02766	Transthyretin	80.17%	90.71%

Plants that contains it

• Ananas comosus
• Erigeron breviscapus
• Sargentodoxa cuneata

Cross-Links

• PubChem: 14132345
• LOTUS: LTS0178478
• wikiData: Q104960668