(1R,2R)-1,2-bis(4-hydroxyphenyl)propane-1,2-diol

Details

• Internal ID: e91e4a8b-eea0-4f7f-a680-f5b43f249537
• Taxonomy: Phenylpropanoids and polyketides > Stilbenes
• IUPAC Name: (1R,2R)-1,2-bis(4-hydroxyphenyl)propane-1,2-diol
• SMILES (Canonical): CC(C1=CC=C(C=C1)O)(C(C2=CC=C(C=C2)O)O)O
• SMILES (Isomeric): C[C@@](C1=CC=C(C=C1)O)([C@@H](C2=CC=C(C=C2)O)O)O
• InChI: InChI=1S/C15H16O4/c1-15(19,11-4-8-13(17)9-5-11)14(18)10-2-6-12(16)7-3-10/h2-9,14,16-19H,1H3/t14-,15-/m1/s1
• InChI Key: NTQHBBDWBRQLIA-HUUCEWRRSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₅H₁₆O₄
• Molecular Weight: 260.28 g/mol
• Exact Mass: 260.10485899 g/mol
• Topological Polar Surface Area (TPSA): 80.90 Ų
• XlogP: 1.40

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
CHEMBL2581	P07339	Cathepsin D	93.52%	98.95%
CHEMBL242	Q92731	Estrogen receptor beta	92.78%	98.35%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	89.47%	91.11%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	88.11%	96.09%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	87.97%	85.14%
CHEMBL1907594	P30926	Neuronal acetylcholine receptor; alpha3/beta4	87.17%	97.23%
CHEMBL215	P09917	Arachidonate 5-lipoxygenase	85.38%	92.68%
CHEMBL5409	Q8TDU6	G-protein coupled bile acid receptor 1	84.12%	93.65%
CHEMBL5966	P55899	IgG receptor FcRn large subunit p51	83.86%	90.93%
CHEMBL3401	O75469	Pregnane X receptor	83.84%	94.73%
CHEMBL2335	P42785	Lysosomal Pro-X carboxypeptidase	83.30%	100.00%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	82.37%	95.56%

Plants that contains it

• Pterocarpus marsupium

Cross-Links

• PubChem: 162991627
• LOTUS: LTS0209365
• wikiData: Q105185578