3,5-Dihydroxy-1,7-diphenylheptan

Details

• Internal ID: 10b2c625-0d82-41e5-be9e-0d932e3a801d
• Taxonomy: Phenylpropanoids and polyketides > Diarylheptanoids > Linear diarylheptanoids
• IUPAC Name: 1,7-diphenylheptane-3,5-diol
• SMILES (Canonical): C1=CC=C(C=C1)CCC(CC(CCC2=CC=CC=C2)O)O
• SMILES (Isomeric): C1=CC=C(C=C1)CCC(CC(CCC2=CC=CC=C2)O)O
• InChI: InChI=1S/C19H24O2/c20-18(13-11-16-7-3-1-4-8-16)15-19(21)14-12-17-9-5-2-6-10-17/h1-10,18-21H,11-15H2
• InChI Key: QSUSPILNZCEGPK-UHFFFAOYSA-N
• Popularity: 3 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₉H₂₄O₂
• Molecular Weight: 284.40 g/mol
• Exact Mass: 284.177630004 g/mol
• Topological Polar Surface Area (TPSA): 40.50 Ų
• XlogP: 4.00

Synonyms

• 3,5-Dihydroxy-1,7-diphenylheptan

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	95.96%	98.95%
CHEMBL2035	P08912	Muscarinic acetylcholine receptor M5	94.88%	94.62%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	91.22%	96.09%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	90.33%	91.11%
CHEMBL5939	Q9NZ08	Endoplasmic reticulum aminopeptidase 1	88.96%	100.00%
CHEMBL3902	P09211	Glutathione S-transferase Pi	86.52%	93.81%
CHEMBL221	P23219	Cyclooxygenase-1	86.02%	90.17%
CHEMBL1821	P08173	Muscarinic acetylcholine receptor M4	83.24%	94.08%
CHEMBL1907	P15144	Aminopeptidase N	82.06%	93.31%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	81.97%	95.56%
CHEMBL1293249	Q13887	Kruppel-like factor 5	81.74%	86.33%

Plants that contains it

• Alnus mandshurica
• Alnus sieboldiana
• Alpinia officinarum

Cross-Links

• PubChem: 45782956
• LOTUS: LTS0142550
• wikiData: Q105227393