6-Methoxyhomopterocarpin

Details

• Internal ID: 3b6e12b7-b651-4456-8d15-b8cafa884ca6
• Taxonomy: Phenylpropanoids and polyketides > Isoflavonoids > Furanoisoflavonoids > Pterocarpans
• IUPAC Name: 3,6,9-trimethoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene
• InChI: InChI=1S/C18H18O5/c1-19-10-4-6-12-14(8-10)22-17-13-7-5-11(20-2)9-15(13)23-18(21-3)16(12)17/h4-9,16-18H,1-3H3
• InChI Key: KGZXHPWOBPVKDK-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₈H₁₈O₅
• Molecular Weight: 314.30 g/mol
• Exact Mass: 314.11542367 g/mol
• Topological Polar Surface Area (TPSA): 46.20 Ų
• XlogP: 3.00

Synonyms

• (6S,6aS,11aR)-3,6,9-Trimethoxypterocarpan
• LMPK12070138

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
CHEMBL240	Q12809	HERG	93.72%	89.76%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	93.41%	91.11%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	90.79%	95.56%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	89.85%	96.09%
CHEMBL1293249	Q13887	Kruppel-like factor 5	89.53%	86.33%
CHEMBL1907	P15144	Aminopeptidase N	86.95%	93.31%
CHEMBL4481	P35228	Nitric oxide synthase, inducible	86.10%	94.80%
CHEMBL2146302	O94925	Glutaminase kidney isoform, mitochondrial	84.10%	100.00%
CHEMBL4478	Q00975	Voltage-gated N-type calcium channel alpha-1B subunit	83.38%	97.14%
CHEMBL2373	P21730	C5a anaphylatoxin chemotactic receptor	81.65%	92.62%
CHEMBL3137262	O60341	LSD1/CoREST complex	81.26%	97.09%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	80.51%	94.00%
CHEMBL3060	Q9Y345	Glycine transporter 2	80.49%	99.17%

Plants that contains it

• Millettia pulchra

Cross-Links

• PubChem: 44257492
• LOTUS: LTS0088920
• wikiData: Q105141067