3,5,7-Trihydroxy-6-c-prenylflavanone

Details

• Internal ID: 2fa9287f-c108-46be-974a-a1b1504b4a31
• Taxonomy: Phenylpropanoids and polyketides > Flavonoids > Flavans > 6-prenylated flavans > 6-prenylated flavanones
• IUPAC Name: 3,5,7-trihydroxy-6-(3-methylbut-2-enyl)-2-phenyl-2,3-dihydrochromen-4-one
• SMILES (Canonical): CC(=CCC1=C(C2=C(C=C1O)OC(C(C2=O)O)C3=CC=CC=C3)O)C
• SMILES (Isomeric): CC(=CCC1=C(C2=C(C=C1O)OC(C(C2=O)O)C3=CC=CC=C3)O)C
• InChI: InChI=1S/C20H20O5/c1-11(2)8-9-13-14(21)10-15-16(17(13)22)18(23)19(24)20(25-15)12-6-4-3-5-7-12/h3-8,10,19-22,24H,9H2,1-2H3
• InChI Key: JSHJOTDLYIHRKJ-UHFFFAOYSA-N
• Popularity: 1 reference in papers

Physical and Chemical Properties

• Molecular Formula: C₂₀H₂₀O₅
• Molecular Weight: 340.40 g/mol
• Exact Mass: 340.13107373 g/mol
• Topological Polar Surface Area (TPSA): 87.00 Ų
• XlogP: 4.10

Synonyms

There are no found synonyms.

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	99.16%	91.11%
CHEMBL1951	P21397	Monoamine oxidase A	97.76%	91.49%
CHEMBL3401	O75469	Pregnane X receptor	94.59%	94.73%
CHEMBL2581	P07339	Cathepsin D	93.70%	98.95%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	91.96%	95.56%
CHEMBL1293249	Q13887	Kruppel-like factor 5	91.45%	86.33%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	88.73%	85.14%
CHEMBL1806	P11388	DNA topoisomerase II alpha	88.19%	89.00%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	86.15%	99.23%

Plants that contains it

• Flourensia riparia
• Helichrysum thapsus

Cross-Links

• PubChem: 129711202
• LOTUS: LTS0085058
• wikiData: Q105134350