(2R)-5,7-dihydroxy-6,8-dimethyl-2-phenyl-2,3-dihydrochromen-4-one

Details

• Internal ID: a037e96f-a68f-4143-ab46-b6698a858a89
• Taxonomy: Phenylpropanoids and polyketides > Flavonoids > Flavans > Flavanones
• IUPAC Name: (2R)-5,7-dihydroxy-6,8-dimethyl-2-phenyl-2,3-dihydrochromen-4-one
• SMILES (Canonical): CC1=C(C(=C2C(=C1O)C(=O)CC(O2)C3=CC=CC=C3)C)O
• SMILES (Isomeric): CC1=C(C(=C2C(=C1O)C(=O)C[C@@H](O2)C3=CC=CC=C3)C)O
• InChI: InChI=1S/C17H16O4/c1-9-15(19)10(2)17-14(16(9)20)12(18)8-13(21-17)11-6-4-3-5-7-11/h3-7,13,19-20H,8H2,1-2H3/t13-/m1/s1
• InChI Key: HAIHGFWQOPJMPV-CYBMUJFWSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₇H₁₆O₄
• Molecular Weight: 284.31 g/mol
• Exact Mass: 284.10485899 g/mol
• Topological Polar Surface Area (TPSA): 66.80 Ų
• XlogP: 3.50

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
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	96.54%	95.56%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	95.02%	91.11%
CHEMBL2581	P07339	Cathepsin D	93.96%	98.95%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	91.95%	99.23%
CHEMBL1806	P11388	DNA topoisomerase II alpha	85.43%	89.00%
CHEMBL1951	P21397	Monoamine oxidase A	82.83%	91.49%
CHEMBL1293249	Q13887	Kruppel-like factor 5	82.79%	86.33%
CHEMBL3401	O75469	Pregnane X receptor	80.29%	94.73%

Plants that contains it

• Bauhinia purpurea
• Dryopteris crassirhizoma

Cross-Links

• PubChem: 158419628
• LOTUS: LTS0119019
• wikiData: Q105024896