(+)-Epiaromadendrin

Details

• Internal ID: 691e5df0-6102-47f5-b076-d7b8fece4d9e
• Taxonomy: Phenylpropanoids and polyketides > Flavonoids > Flavans > Flavanones > Flavanonols
• IUPAC Name: (2S,3R)-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
• SMILES (Canonical): C1=CC(=CC=C1C2C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O
• SMILES (Isomeric): C1=CC(=CC=C1[C@H]2[C@H](C(=O)C3=C(C=C(C=C3O2)O)O)O)O
• InChI: InChI=1S/C15H12O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,14-18,20H/t14-,15-/m0/s1
• InChI Key: PADQINQHPQKXNL-GJZGRUSLSA-N
• Popularity: 3 references 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): 107.00 Ų
• XlogP: 1.80

Synonyms

• SCHEMBL3437565

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	97.62%	91.11%
CHEMBL1806	P11388	DNA topoisomerase II alpha	92.24%	89.00%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	91.60%	95.56%
CHEMBL1951	P21397	Monoamine oxidase A	89.10%	91.49%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	88.92%	99.23%
CHEMBL2581	P07339	Cathepsin D	87.90%	98.95%
CHEMBL3401	O75469	Pregnane X receptor	86.15%	94.73%
CHEMBL3194	P02766	Transthyretin	85.30%	90.71%
CHEMBL1860	P10827	Thyroid hormone receptor alpha	84.42%	99.15%
CHEMBL3137262	O60341	LSD1/CoREST complex	82.82%	97.09%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	82.41%	94.45%
CHEMBL1293249	Q13887	Kruppel-like factor 5	80.91%	86.33%
CHEMBL5697	Q9GZT9	Egl nine homolog 1	80.19%	93.40%

Plants that contains it

• Afzelia bella
• Arabidopsis thaliana
• Artocarpus lacucha
• Brassica carinata
• Calligonum leucocladum
• Canthium berberidifolium
• Equisetum arvense
• Juniperus virginiana var. silicicola
• Maclura tinctoria
• Pelargonium reniforme
• Phellodendron chinense var. glabriusculum
• Smilax china
• Spatholobus suberectus
• Ventilago leiocarpa

Cross-Links

• PubChem: 11449086
• NPASS: NPC117897
• LOTUS: LTS0192619
• wikiData: Q105204425