(2R,3S)-2,4-bis(4-hydroxyphenyl)-3,6-dihydro-2H-pyran-3-ol

Details

• Internal ID: 907d2d6c-a258-42e8-8f30-700f27c307e6
• Taxonomy: Benzenoids > Phenols > 1-hydroxy-2-unsubstituted benzenoids
• IUPAC Name: (2R,3S)-2,4-bis(4-hydroxyphenyl)-3,6-dihydro-2H-pyran-3-ol
• SMILES (Canonical): C1C=C(C(C(O1)C2=CC=C(C=C2)O)O)C3=CC=C(C=C3)O
• SMILES (Isomeric): C1C=C([C@@H]([C@H](O1)C2=CC=C(C=C2)O)O)C3=CC=C(C=C3)O
• InChI: InChI=1S/C17H16O4/c18-13-5-1-11(2-6-13)15-9-10-21-17(16(15)20)12-3-7-14(19)8-4-12/h1-9,16-20H,10H2/t16-,17+/m0/s1
• InChI Key: NSXWREIRRYJPAQ-DLBZAZTESA-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): 69.90 Ų
• XlogP: 1.70

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
CHEMBL242	Q92731	Estrogen receptor beta	94.77%	98.35%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	93.65%	91.11%
CHEMBL3137262	O60341	LSD1/CoREST complex	93.14%	97.09%
CHEMBL1951	P21397	Monoamine oxidase A	89.33%	91.49%
CHEMBL2581	P07339	Cathepsin D	85.75%	98.95%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	85.75%	96.09%
CHEMBL3830	Q2M2I8	Adaptor-associated kinase	82.97%	83.10%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	82.96%	95.56%
CHEMBL3438	Q05513	Protein kinase C zeta	82.72%	88.48%

Plants that contains it

• Chamaecyparis obtusa

Cross-Links

• PubChem: 16067360
• LOTUS: LTS0144533
• wikiData: Q105185300