1,7-Diphenylheptan-3-ol

Details

• Internal ID: 6a9a727a-e366-41bd-a35d-320317c83523
• Taxonomy: Phenylpropanoids and polyketides > Diarylheptanoids > Linear diarylheptanoids
• IUPAC Name: 1,7-diphenylheptan-3-ol
• SMILES (Canonical): C1=CC=C(C=C1)CCCCC(CCC2=CC=CC=C2)O
• SMILES (Isomeric): C1=CC=C(C=C1)CCCCC(CCC2=CC=CC=C2)O
• InChI: InChI=1S/C19H24O/c20-19(16-15-18-11-5-2-6-12-18)14-8-7-13-17-9-3-1-4-10-17/h1-6,9-12,19-20H,7-8,13-16H2
• InChI Key: FITFAFMCWGCVDQ-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₉H₂₄O
• Molecular Weight: 268.40 g/mol
• Exact Mass: 268.182715385 g/mol
• Topological Polar Surface Area (TPSA): 20.20 Ų
• XlogP: 5.10

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	96.55%	98.95%
CHEMBL2035	P08912	Muscarinic acetylcholine receptor M5	94.16%	94.62%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	93.24%	96.09%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	88.49%	91.11%
CHEMBL3902	P09211	Glutathione S-transferase Pi	88.29%	93.81%
CHEMBL5939	Q9NZ08	Endoplasmic reticulum aminopeptidase 1	87.58%	100.00%
CHEMBL5805	Q9NR97	Toll-like receptor 8	85.05%	96.25%
CHEMBL1293249	Q13887	Kruppel-like factor 5	82.84%	86.33%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	82.56%	95.56%
CHEMBL3401	O75469	Pregnane X receptor	80.85%	94.73%

Plants that contains it

• Pinus flexilis

Cross-Links

• PubChem: 11076452
• LOTUS: LTS0100915
• wikiData: Q104995859