Lespeflorin C5

Details

• Internal ID: 3538dba1-64e0-492a-941e-29f6b2e2c26b
• Taxonomy: Phenylpropanoids and polyketides > Linear 1,3-diarylpropanoids > Chalcones and dihydrochalcones > 2-Hydroxy-dihydrochalcones
• IUPAC Name: (2S)-1-[2,4-dihydroxy-3-methyl-5-(3-methylbut-2-enyl)phenyl]-2-hydroxy-3-(4-hydroxyphenyl)propan-1-one
• SMILES (Canonical): CC1=C(C(=CC(=C1O)C(=O)C(CC2=CC=C(C=C2)O)O)CC=C(C)C)O
• SMILES (Isomeric): CC1=C(C(=CC(=C1O)C(=O)[C@H](CC2=CC=C(C=C2)O)O)CC=C(C)C)O
• InChI: InChI=1S/C21H24O5/c1-12(2)4-7-15-11-17(20(25)13(3)19(15)24)21(26)18(23)10-14-5-8-16(22)9-6-14/h4-6,8-9,11,18,22-25H,7,10H2,1-3H3/t18-/m0/s1
• InChI Key: MSONJMHJAJGDCI-SFHVURJKSA-N
• Popularity: 1 reference in papers

Physical and Chemical Properties

• Molecular Formula: C₂₁H₂₄O₅
• Molecular Weight: 356.40 g/mol
• Exact Mass: 356.16237386 g/mol
• Topological Polar Surface Area (TPSA): 98.00 Ų
• XlogP: 4.70

Synonyms

• CHEMBL552302

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
CHEMBL2581	P07339	Cathepsin D	98.66%	98.95%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	96.19%	91.11%
CHEMBL4657	Q6V1X1	Dipeptidyl peptidase VIII	93.40%	97.21%
CHEMBL3401	O75469	Pregnane X receptor	93.05%	94.73%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	91.36%	94.45%
CHEMBL3060	Q9Y345	Glycine transporter 2	90.96%	99.17%
CHEMBL4793	Q86TI2	Dipeptidyl peptidase IX	90.08%	96.95%
CHEMBL2288	Q13526	Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1	89.80%	91.71%
CHEMBL3091268	Q92753	Nuclear receptor ROR-beta	87.99%	95.50%
CHEMBL5845	P23415	Glycine receptor subunit alpha-1	86.43%	90.71%
CHEMBL2535	P11166	Glucose transporter	86.31%	98.75%
CHEMBL1907603	Q05586	Glutamate NMDA receptor; GRIN1/GRIN2B	86.05%	95.89%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	83.65%	96.09%
CHEMBL3492	P49721	Proteasome Macropain subunit	82.86%	90.24%
CHEMBL1293249	Q13887	Kruppel-like factor 5	82.70%	86.33%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	82.60%	95.56%
CHEMBL5852	Q96P65	Pyroglutamylated RFamide peptide receptor	82.57%	85.00%
CHEMBL5966	P55899	IgG receptor FcRn large subunit p51	82.41%	90.93%
CHEMBL1907591	P30926	Neuronal acetylcholine receptor; alpha4/beta4	81.78%	100.00%
CHEMBL4208	P20618	Proteasome component C5	81.41%	90.00%
CHEMBL2107	P61073	C-X-C chemokine receptor type 4	80.85%	93.10%

Plants that contains it

• Lespedeza floribunda

Cross-Links

• PubChem: 25243324
• LOTUS: LTS0251287
• wikiData: Q105171313