4-(3-Hydroxyprop-1-enyl)phenol

Details

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Internal ID accb3c71-a021-4b4c-acd0-8084112b10f3
Taxonomy Phenylpropanoids and polyketides > Cinnamyl alcohols
IUPAC Name 4-(3-hydroxyprop-1-enyl)phenol
SMILES (Canonical) C1=CC(=CC=C1C=CCO)O
SMILES (Isomeric) C1=CC(=CC=C1C=CCO)O
InChI InChI=1S/C9H10O2/c10-7-1-2-8-3-5-9(11)6-4-8/h1-6,10-11H,7H2
InChI Key PTNLHDGQWUGONS-UHFFFAOYSA-N
Popularity 1,121 references in papers

Physical and Chemical Properties

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Molecular Formula C9H10O2
Molecular Weight 150.17 g/mol
Exact Mass 150.068079557 g/mol
Topological Polar Surface Area (TPSA) 40.50 Ų
XlogP 1.30

Synonyms

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Phenol, 4-(3-hydroxy-1-propenyl)-
MFCD02169461
p-Cumaric alcohol; p-Hydroxycinnamic alcohol
p-hydroxy cinnamyl alcohol
TimTec1_004832
Oprea1_369026
3-(4-hydroxyphenyl)-2-propenol
PTNLHDGQWUGONS-UHFFFAOYSA-N
AKOS017404971
SY203874
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of 4-(3-Hydroxyprop-1-enyl)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
CHEMBL242 Q92731 Estrogen receptor beta 95.65% 98.35%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 93.38% 91.11%
CHEMBL2288 Q13526 Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 92.32% 91.71%
CHEMBL3194 P02766 Transthyretin 85.87% 90.71%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 84.29% 96.00%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 83.03% 95.56%
CHEMBL1293249 Q13887 Kruppel-like factor 5 82.75% 86.33%
CHEMBL3060 Q9Y345 Glycine transporter 2 81.76% 99.17%

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.
Alpinia galanga
Alpinia officinarum
Rhodiola rosea
Solanum lycopersicum

Cross-Links

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PubChem 94274
LOTUS LTS0037655
wikiData Q27103667