8,16-Dioxatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10(15),11,13-hexaene-4,5,13,17-tetrol

Details

• Internal ID: f0d5cb1b-78d3-4025-99a4-4f376511ca5e
• Taxonomy: Phenylpropanoids and polyketides > Flavonoids > Flavans > Leucoanthocyanidins
• IUPAC Name: 8,16-dioxatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10(15),11,13-hexaene-4,5,13,17-tetrol
• InChI: InChI=1S/C15H12O6/c16-6-1-2-7-11(3-6)20-15-8-4-9(17)10(18)5-12(8)21-14(7)13(15)19/h1-5,13-19H
• InChI Key: NREPOMIEDIKIAZ-UHFFFAOYSA-N
• Popularity: 1 reference in papers

Physical and Chemical Properties

• Molecular Formula: C₁₅H₁₂O₆
• Molecular Weight: 288.25 g/mol
• Exact Mass: 288.06338810 g/mol
• Topological Polar Surface Area (TPSA): 99.40 Ų
• XlogP: 1.10

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	97.78%	91.11%
CHEMBL2581	P07339	Cathepsin D	86.69%	98.95%
CHEMBL1860	P10827	Thyroid hormone receptor alpha	85.79%	99.15%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	84.86%	95.56%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	84.82%	96.09%
CHEMBL2535	P11166	Glucose transporter	84.22%	98.75%
CHEMBL3227	P41594	Metabotropic glutamate receptor 5	82.15%	96.42%
CHEMBL3194	P02766	Transthyretin	81.35%	90.71%
CHEMBL1806	P11388	DNA topoisomerase II alpha	80.48%	89.00%

Plants that contains it

• Peltophorum africanum

Cross-Links

• PubChem: 74977192
• LOTUS: LTS0133914
• wikiData: Q105184463