Minimiflorin

Details

• Internal ID: 0a9db1c8-26e5-455e-9050-ae272a2576ce
• Taxonomy: Phenylpropanoids and polyketides > Flavonoids > Flavans > 8-prenylated flavans > 8-prenylated flavanones
• IUPAC Name: (8S)-5-hydroxy-8-(2-hydroxyphenyl)-2,2-dimethyl-10-(3-methylbut-2-enyl)-7,8-dihydropyrano[3,2-g]chromen-6-one
• SMILES (Canonical): CC(=CCC1=C2C(=C(C3=C1OC(CC3=O)C4=CC=CC=C4O)O)C=CC(O2)(C)C)C
• SMILES (Isomeric): CC(=CCC1=C2C(=C(C3=C1O[C@@H](CC3=O)C4=CC=CC=C4O)O)C=CC(O2)(C)C)C
• InChI: InChI=1S/C25H26O5/c1-14(2)9-10-17-23-16(11-12-25(3,4)30-23)22(28)21-19(27)13-20(29-24(17)21)15-7-5-6-8-18(15)26/h5-9,11-12,20,26,28H,10,13H2,1-4H3/t20-/m0/s1
• InChI Key: IAKVRAMIQPWTDR-FQEVSTJZSA-N
• Popularity: 5 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₅H₂₆O₅
• Molecular Weight: 406.50 g/mol
• Exact Mass: 406.17802393 g/mol
• Topological Polar Surface Area (TPSA): 76.00 Ų
• XlogP: 5.60

Synonyms

• 98621-33-1
• (8S)-5-hydroxy-8-(2-hydroxyphenyl)-2,2-dimethyl-10-(3-methylbut-2-enyl)-7,8-dihydropyrano[3,2-g]chromen-6-one
• (-)-Minimiflorin
• CHEMBL464778
• DTXSID60243739

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	99.77%	91.11%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	97.58%	85.14%
CHEMBL2581	P07339	Cathepsin D	96.89%	98.95%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	95.43%	94.45%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	90.79%	96.09%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	90.62%	95.56%
CHEMBL1951	P21397	Monoamine oxidase A	90.47%	91.49%
CHEMBL221	P23219	Cyclooxygenase-1	90.14%	90.17%
CHEMBL3401	O75469	Pregnane X receptor	88.05%	94.73%
CHEMBL1806	P11388	DNA topoisomerase II alpha	88.03%	89.00%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	87.59%	99.23%
CHEMBL5608	Q16288	NT-3 growth factor receptor	85.96%	95.89%
CHEMBL4051	P13569	Cystic fibrosis transmembrane conductance regulator	83.79%	95.71%
CHEMBL1937	Q92769	Histone deacetylase 2	82.57%	94.75%
CHEMBL3830	Q2M2I8	Adaptor-associated kinase	80.46%	83.10%
CHEMBL3137262	O60341	LSD1/CoREST complex	80.46%	97.09%
CHEMBL2007	P16234	Platelet-derived growth factor receptor alpha	80.44%	91.07%

Plants that contains it

• Lonchocarpus minimiflorus
• Lonchocarpus oaxacensis
• Plagiocheilus bogotensis
• Terminalia buceras

Cross-Links

• PubChem: 180733
• LOTUS: LTS0244712
• wikiData: Q105128116