Erythbidin A

Details

• Internal ID: edde1ec9-86f0-48d1-b6e7-a969539c9b77
• Taxonomy: Phenylpropanoids and polyketides > Isoflavonoids > Pyranoisoflavonoids
• IUPAC Name: 8-[(3R)-7-hydroxy-3,4-dihydro-2H-chromen-3-yl]-2,2-dimethylchromen-5-ol
• SMILES (Canonical): CC1(C=CC2=C(C=CC(=C2O1)C3CC4=C(C=C(C=C4)O)OC3)O)C
• SMILES (Isomeric): CC1(C=CC2=C(C=CC(=C2O1)[C@H]3CC4=C(C=C(C=C4)O)OC3)O)C
• InChI: InChI=1S/C20H20O4/c1-20(2)8-7-16-17(22)6-5-15(19(16)24-20)13-9-12-3-4-14(21)10-18(12)23-11-13/h3-8,10,13,21-22H,9,11H2,1-2H3/t13-/m0/s1
• InChI Key: FWNBCUTXAPZFIT-ZDUSSCGKSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₀H₂₀O₄
• Molecular Weight: 324.40 g/mol
• Exact Mass: 324.13615911 g/mol
• Topological Polar Surface Area (TPSA): 58.90 Ų
• XlogP: 3.90

Synonyms

• 210050-83-2
• 8-[(3R)-7-hydroxy-3,4-dihydro-2H-chromen-3-yl]-2,2-dimethylchromen-5-ol
• AKOS040761698

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	99.20%	91.11%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	97.16%	94.45%
CHEMBL236	P41143	Delta opioid receptor	97.13%	99.35%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	95.31%	96.09%
CHEMBL1951	P21397	Monoamine oxidase A	90.82%	91.49%
CHEMBL2581	P07339	Cathepsin D	89.80%	98.95%
CHEMBL1860	P10827	Thyroid hormone receptor alpha	89.59%	99.15%
CHEMBL5608	Q16288	NT-3 growth factor receptor	89.14%	95.89%
CHEMBL1994	P08235	Mineralocorticoid receptor	87.98%	100.00%
CHEMBL5697	Q9GZT9	Egl nine homolog 1	87.63%	93.40%
CHEMBL3137262	O60341	LSD1/CoREST complex	87.30%	97.09%
CHEMBL2107	P61073	C-X-C chemokine receptor type 4	86.78%	93.10%
CHEMBL1806	P11388	DNA topoisomerase II alpha	86.78%	89.00%
CHEMBL2335	P42785	Lysosomal Pro-X carboxypeptidase	85.76%	100.00%
CHEMBL233	P35372	Mu opioid receptor	85.71%	97.93%
CHEMBL4681	P42330	Aldo-keto-reductase family 1 member C3	83.91%	89.05%
CHEMBL1293249	Q13887	Kruppel-like factor 5	83.54%	86.33%
CHEMBL4208	P20618	Proteasome component C5	83.28%	90.00%
CHEMBL3359	P21462	Formyl peptide receptor 1	83.19%	93.56%
CHEMBL340	P08684	Cytochrome P450 3A4	83.05%	91.19%
CHEMBL1914	P06276	Butyrylcholinesterase	81.96%	95.00%
CHEMBL3060	Q9Y345	Glycine transporter 2	81.76%	99.17%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	81.43%	95.56%
CHEMBL5896	O75164	Lysine-specific demethylase 4A	80.93%	99.09%

Plants that contains it

• Erythrina bidwillii
• Erythrina herbacea

Cross-Links

• PubChem: 15391906
• LOTUS: LTS0254976
• wikiData: Q105003429