(2S)-6-methyl-8-(3-methylbut-2-enyl)-2-phenyl-2,3-dihydrochromen-4-one

Details

• Internal ID: 302dc327-7d89-47f9-95e3-6f338b2a0d53
• Taxonomy: Phenylpropanoids and polyketides > Flavonoids > Flavans > 8-prenylated flavans > 8-prenylated flavanones
• IUPAC Name: (2S)-6-methyl-8-(3-methylbut-2-enyl)-2-phenyl-2,3-dihydrochromen-4-one
• InChI: InChI=1S/C21H22O2/c1-14(2)9-10-17-11-15(3)12-18-19(22)13-20(23-21(17)18)16-7-5-4-6-8-16/h4-9,11-12,20H,10,13H2,1-3H3/t20-/m0/s1
• InChI Key: VXSDRNRYPWABQW-FQEVSTJZSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₁H₂₂O₂
• Molecular Weight: 306.40 g/mol
• Exact Mass: 306.161979940 g/mol
• Topological Polar Surface Area (TPSA): 26.30 Ų
• XlogP: 5.20

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	96.37%	91.11%
CHEMBL2581	P07339	Cathepsin D	96.32%	98.95%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	95.67%	95.56%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	94.33%	85.14%
CHEMBL1293249	Q13887	Kruppel-like factor 5	93.18%	86.33%
CHEMBL3401	O75469	Pregnane X receptor	92.49%	94.73%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	89.08%	96.09%
CHEMBL1951	P21397	Monoamine oxidase A	85.55%	91.49%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	85.38%	99.23%
CHEMBL3137262	O60341	LSD1/CoREST complex	83.77%	97.09%
CHEMBL1806	P11388	DNA topoisomerase II alpha	83.24%	89.00%
CHEMBL5028	O14672	ADAM10	81.67%	97.50%

Plants that contains it

• Eysenhardtia subcoriacea

Cross-Links

• PubChem: 163045850
• LOTUS: LTS0220130
• wikiData: Q105298726