3-(3-Hydroxypropyl)phenol

Details

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Internal ID b7b700ed-83df-4e38-b27f-43ef5bbd16c0
Taxonomy Benzenoids > Phenols > 1-hydroxy-4-unsubstituted benzenoids
IUPAC Name 3-(3-hydroxypropyl)phenol
SMILES (Canonical) C1=CC(=CC(=C1)O)CCCO
SMILES (Isomeric) C1=CC(=CC(=C1)O)CCCO
InChI InChI=1S/C9H12O2/c10-6-2-4-8-3-1-5-9(11)7-8/h1,3,5,7,10-11H,2,4,6H2
InChI Key TVQDIGAZKJXXLX-UHFFFAOYSA-N
Popularity 1 reference in papers

Physical and Chemical Properties

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Molecular Formula C9H12O2
Molecular Weight 152.19 g/mol
Exact Mass 152.083729621 g/mol
Topological Polar Surface Area (TPSA) 40.50 Ų
XlogP 1.50

Synonyms

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1424-74-4
3-(3-Hydroxy-propyl)-phenol
3-(3-HYDROXYPROPYL)-PHENOL
Benzenepropanol, 3-hydroxy-
3-(3-hydroxyphenyl)propanol
3-m-hydroxyphenylpropyl alcohol
SCHEMBL2978591
DTXSID60438466
TVQDIGAZKJXXLX-UHFFFAOYSA-N
MFCD09028718
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of 3-(3-Hydroxypropyl)phenol

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 95.88% 98.95%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 90.94% 91.11%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 90.24% 96.09%
CHEMBL1293249 Q13887 Kruppel-like factor 5 90.21% 86.33%
CHEMBL226 P30542 Adenosine A1 receptor 88.48% 95.93%
CHEMBL3060 Q9Y345 Glycine transporter 2 87.95% 99.17%
CHEMBL3401 O75469 Pregnane X receptor 86.89% 94.73%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 82.02% 95.56%
CHEMBL2288 Q13526 Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 81.61% 91.71%
CHEMBL5805 Q9NR97 Toll-like receptor 8 80.89% 96.25%
CHEMBL2535 P11166 Glucose transporter 80.31% 98.75%

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.
Taxus baccata

Cross-Links

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PubChem 10351871
LOTUS LTS0266900
wikiData Q82254221