Dipteryxin

Details

• Internal ID: 1bfec37f-2755-46e4-82a1-d65cbe975ee5
• Taxonomy: Phenylpropanoids and polyketides > Isoflavonoids > O-methylated isoflavonoids > 4-O-methylated isoflavonoids > 4-O-methylisoflavones
• IUPAC Name: 7,8-dihydroxy-6-methoxy-3-(4-methoxyphenyl)chromen-4-one
• SMILES (Canonical): COC1=CC=C(C=C1)C2=COC3=C(C(=C(C=C3C2=O)OC)O)O
• SMILES (Isomeric): COC1=CC=C(C=C1)C2=COC3=C(C(=C(C=C3C2=O)OC)O)O
• InChI: InChI=1S/C17H14O6/c1-21-10-5-3-9(4-6-10)12-8-23-17-11(14(12)18)7-13(22-2)15(19)16(17)20/h3-8,19-20H,1-2H3
• InChI Key: BSXFDHHTXOAUGB-UHFFFAOYSA-N
• Popularity: 1 reference in papers

Physical and Chemical Properties

• Molecular Formula: C₁₇H₁₄O₆
• Molecular Weight: 314.29 g/mol
• Exact Mass: 314.07903816 g/mol
• Topological Polar Surface Area (TPSA): 85.20 Ų
• XlogP: 2.40

Synonyms

• LMPK12050150
• CCG-214076
• SR-05000002570
• SR-05000002570-1
• BRD-K29004214-001-01-4

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	98.33%	91.11%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	96.32%	94.00%
CHEMBL2581	P07339	Cathepsin D	94.94%	98.95%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	93.92%	95.56%
CHEMBL1860	P10827	Thyroid hormone receptor alpha	93.02%	99.15%
CHEMBL1293249	Q13887	Kruppel-like factor 5	92.82%	86.33%
CHEMBL1907	P15144	Aminopeptidase N	92.78%	93.31%
CHEMBL1806	P11388	DNA topoisomerase II alpha	90.24%	89.00%
CHEMBL4016	P42262	Glutamate receptor ionotropic, AMPA 2	90.22%	86.92%
CHEMBL3060	Q9Y345	Glycine transporter 2	86.87%	99.17%
CHEMBL2373	P21730	C5a anaphylatoxin chemotactic receptor	85.07%	92.62%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	82.88%	96.09%
CHEMBL4208	P20618	Proteasome component C5	81.95%	90.00%
CHEMBL4940	P07195	L-lactate dehydrogenase B chain	81.66%	95.53%
CHEMBL5608	Q16288	NT-3 growth factor receptor	81.12%	95.89%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	80.93%	99.23%
CHEMBL3091268	Q92753	Nuclear receptor ROR-beta	80.66%	95.50%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	80.26%	96.00%

Plants that contains it

• Dipteryx odorata

Cross-Links

• PubChem: 44257265
• LOTUS: LTS0236684
• wikiData: Q104248868