Dalbergioidin

Details

• Internal ID: c544e056-1b8b-4054-aa8f-d159f175cf1c
• Taxonomy: Phenylpropanoids and polyketides > Isoflavonoids > Isoflavans > Isoflavanones
• IUPAC Name: 3-(2,4-dihydroxyphenyl)-5,7-dihydroxy-2,3-dihydrochromen-4-one
• SMILES (Canonical): C1C(C(=O)C2=C(C=C(C=C2O1)O)O)C3=C(C=C(C=C3)O)O
• SMILES (Isomeric): C1C(C(=O)C2=C(C=C(C=C2O1)O)O)C3=C(C=C(C=C3)O)O
• InChI: InChI=1S/C15H12O6/c16-7-1-2-9(11(18)3-7)10-6-21-13-5-8(17)4-12(19)14(13)15(10)20/h1-5,10,16-19H,6H2
• InChI Key: WNHXBLZBOWXNQO-UHFFFAOYSA-N
• Popularity: 5 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: 2.20

Synonyms

• 30368-42-4
• (+-)-Dalbergioidin
• 3-(2,4-dihydroxyphenyl)-5,7-dihydroxy-2,3-dihydrochromen-4-one
• 3-(2,4-dihydroxyphenyl)-5,7-dihydroxychroman-4-one
• Dalbergioidine
• Isoflavanone, 2',4',5,7-tetrahydroxy-
• CHEBI:65
• DTXSID20952714
• HY-N3674
• LMPK12050500
• 5,7,2',4'-Tetrahydroxyisoflavanone
• AKOS032948917
• FS-9458
• CS-0024036
• Q27105220
• B0005-458129
• 3-(2,4-Dihydroxyphenyl)-5,7-dihydroxy-2,3-dihydro-4H-1-benzopyran-4-one
• 2,3-Dihydro-5,7-dihydroxy-3-(2,4-dihydroxyphenyl)-4H-1-benzopyran-4-one, 9CI
• 4H-1-Benzopyran-4-one, 3-(2,4-dihydroxyphenyl)-2,3-dihydro-5,7-dihydroxy-

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	98.15%	91.11%
CHEMBL2581	P07339	Cathepsin D	95.16%	98.95%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	92.31%	95.56%
CHEMBL1806	P11388	DNA topoisomerase II alpha	92.08%	89.00%
CHEMBL5697	Q9GZT9	Egl nine homolog 1	91.08%	93.40%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	89.05%	94.45%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	87.51%	99.23%
CHEMBL1860	P10827	Thyroid hormone receptor alpha	86.97%	99.15%
CHEMBL1929	P47989	Xanthine dehydrogenase	86.82%	96.12%
CHEMBL1994	P08235	Mineralocorticoid receptor	86.70%	100.00%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	84.19%	96.09%
CHEMBL1293249	Q13887	Kruppel-like factor 5	84.10%	86.33%
CHEMBL3137262	O60341	LSD1/CoREST complex	83.80%	97.09%
CHEMBL5845	P23415	Glycine receptor subunit alpha-1	83.49%	90.71%
CHEMBL3192	Q9BY41	Histone deacetylase 8	83.17%	93.99%
CHEMBL2073	P07947	Tyrosine-protein kinase YES	82.86%	83.14%
CHEMBL3401	O75469	Pregnane X receptor	82.72%	94.73%
CHEMBL2535	P11166	Glucose transporter	81.48%	98.75%
CHEMBL5608	Q16288	NT-3 growth factor receptor	81.45%	95.89%
CHEMBL3194	P02766	Transthyretin	81.02%	90.71%
CHEMBL4208	P20618	Proteasome component C5	80.72%	90.00%
CHEMBL226	P30542	Adenosine A1 receptor	80.19%	95.93%
CHEMBL4530	P00488	Coagulation factor XIII	80.00%	96.00%

Plants that contains it

• Desmodium uncinatum
• Gynerium sagittatum
• Lespedeza cyrtobotrya
• Ormosia monosperma
• Phaseolus vulgaris
• Swartzia polyphylla
• Uraria picta
• Vigna angularis
• Vigna mungo
• Vigna radiata

Cross-Links

• PubChem: 181994
• LOTUS: LTS0201737
• wikiData: Q27105220