(r)-1,7-Diphenyl-3-heptanol

Details

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Internal ID 199f2584-aec1-4d27-95fb-27b5b0ba7890
Taxonomy Phenylpropanoids and polyketides > Diarylheptanoids > Linear diarylheptanoids
IUPAC Name (3R)-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)CCCC[C@H](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/t19-/m1/s1
InChI Key FITFAFMCWGCVDQ-LJQANCHMSA-N
Popularity 1 reference in papers

Physical and Chemical Properties

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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

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There are no found synonyms.

2D Structure

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2D Structure of (r)-1,7-Diphenyl-3-heptanol

3D Structure

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ADMET Properties (via admetSAR 2)

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Target Value Probability (raw) Probability (%)
No predicted properties yet!

Targets

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Proven Targets:

CHEMBL ID UniProt ID Name Min activity Assay type Source
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

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
To see more specific details click the taxa you are interested in.
Pinus flexilis

Cross-Links

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PubChem 129821339
LOTUS LTS0155650
wikiData Q104995858