(2S)-2-(4-methylphenyl)propan-1-ol

Details

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Internal ID fbfc2707-04c2-44ec-9e22-b80f1f35918e
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Monoterpenoids > Aromatic monoterpenoids
IUPAC Name (2S)-2-(4-methylphenyl)propan-1-ol
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C10H14O/c1-8-3-5-10(6-4-8)9(2)7-11/h3-6,9,11H,7H2,1-2H3/t9-/m1/s1
InChI Key CLFDIFDNDWRHJF-SECBINFHSA-N
Popularity 6 references in papers

Physical and Chemical Properties

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Molecular Formula C10H14O
Molecular Weight 150.22 g/mol
Exact Mass 150.104465066 g/mol
Topological Polar Surface Area (TPSA) 20.20 Ų
XlogP 2.90

Synonyms

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(2S)-2-(4-methylphenyl)propan-1-ol
EN300-6507218
93922-51-1

2D Structure

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2D Structure of (2S)-2-(4-methylphenyl)propan-1-ol

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 93.22% 98.95%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 88.97% 95.56%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 88.44% 96.09%
CHEMBL3401 O75469 Pregnane X receptor 86.99% 94.73%
CHEMBL4072 P07858 Cathepsin B 83.62% 93.67%
CHEMBL3359 P21462 Formyl peptide receptor 1 83.30% 93.56%
CHEMBL5409 Q8TDU6 G-protein coupled bile acid receptor 1 80.37% 93.65%

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.
Picradeniopsis schaffneri

Cross-Links

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PubChem 11819210
LOTUS LTS0181154
wikiData Q104963328