Prosogerin B

Details

• Internal ID: d4082ee4-3a1c-41a2-bbca-8f13af8f2d05
• Taxonomy: Phenylpropanoids and polyketides > Linear 1,3-diarylpropanoids > Chalcones and dihydrochalcones > 2-Hydroxychalcones
• IUPAC Name: (E)-3-(1,3-benzodioxol-5-yl)-1-(2,4-dihydroxy-5-methoxyphenyl)prop-2-en-1-one
• SMILES (Canonical): COC1=C(C=C(C(=C1)C(=O)C=CC2=CC3=C(C=C2)OCO3)O)O
• SMILES (Isomeric): COC1=C(C=C(C(=C1)C(=O)/C=C/C2=CC3=C(C=C2)OCO3)O)O
• InChI: InChI=1S/C17H14O6/c1-21-16-7-11(13(19)8-14(16)20)12(18)4-2-10-3-5-15-17(6-10)23-9-22-15/h2-8,19-20H,9H2,1H3/b4-2+
• InChI Key: ILLNHMJYZGWGBU-DUXPYHPUSA-N
• Popularity: 0 references 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: 3.30

Synonyms

• CHEBI:193409
• LMPK12120144
• (E)-3-(1,3-benzodioxol-5-yl)-1-(2,4-dihydroxy-5-methoxyphenyl)prop-2-en-1-one

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	99.07%	91.11%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	96.71%	94.45%
CHEMBL1293249	Q13887	Kruppel-like factor 5	96.18%	86.33%
CHEMBL4303	P08238	Heat shock protein HSP 90-beta	95.74%	96.77%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	94.28%	95.56%
CHEMBL4481	P35228	Nitric oxide synthase, inducible	93.10%	94.80%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	92.92%	96.00%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	91.34%	96.09%
CHEMBL3091268	Q92753	Nuclear receptor ROR-beta	91.00%	95.50%
CHEMBL1806	P11388	DNA topoisomerase II alpha	90.03%	89.00%
CHEMBL3194	P02766	Transthyretin	89.88%	90.71%
CHEMBL3060	Q9Y345	Glycine transporter 2	87.22%	99.17%
CHEMBL2535	P11166	Glucose transporter	86.51%	98.75%
CHEMBL4208	P20618	Proteasome component C5	86.04%	90.00%
CHEMBL225	P28335	Serotonin 2c (5-HT2c) receptor	86.02%	89.62%
CHEMBL2373	P21730	C5a anaphylatoxin chemotactic receptor	85.89%	92.62%
CHEMBL2413	P32246	C-C chemokine receptor type 1	84.32%	89.50%
CHEMBL2581	P07339	Cathepsin D	83.66%	98.95%
CHEMBL4224	P49759	Dual specificty protein kinase CLK1	82.67%	85.30%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	82.65%	85.14%
CHEMBL5311	P37023	Serine/threonine-protein kinase receptor R3	82.00%	82.67%

Plants that contains it

• Prosopis cineraria

Cross-Links

• PubChem: 42607554
• LOTUS: LTS0072641
• wikiData: Q76534941