4-[2-[5-(2-Hydroxypropyl)-2-methoxyphenyl]prop-2-enyl]phenol

Details

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Internal ID 0ed6cacc-0004-4ecf-8cf6-5f5c37f07fe2
Taxonomy Phenylpropanoids and polyketides > Stilbenes
IUPAC Name 4-[2-[5-(2-hydroxypropyl)-2-methoxyphenyl]prop-2-enyl]phenol
SMILES (Canonical) CC(CC1=CC(=C(C=C1)OC)C(=C)CC2=CC=C(C=C2)O)O
SMILES (Isomeric) CC(CC1=CC(=C(C=C1)OC)C(=C)CC2=CC=C(C=C2)O)O
InChI InChI=1S/C19H22O3/c1-13(10-15-4-7-17(21)8-5-15)18-12-16(11-14(2)20)6-9-19(18)22-3/h4-9,12,14,20-21H,1,10-11H2,2-3H3
InChI Key ALWHQQHJMXYJQW-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C19H22O3
Molecular Weight 298.40 g/mol
Exact Mass 298.15689456 g/mol
Topological Polar Surface Area (TPSA) 49.70 Ų
XlogP 4.50

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 4-[2-[5-(2-Hydroxypropyl)-2-methoxyphenyl]prop-2-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
CHEMBL2581 P07339 Cathepsin D 97.21% 98.95%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 96.66% 96.09%
CHEMBL1255126 O15151 Protein Mdm4 96.32% 90.20%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 93.05% 85.14%
CHEMBL2535 P11166 Glucose transporter 92.87% 98.75%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 92.07% 94.45%
CHEMBL3060 Q9Y345 Glycine transporter 2 90.36% 99.17%
CHEMBL1907603 Q05586 Glutamate NMDA receptor; GRIN1/GRIN2B 88.29% 95.89%
CHEMBL4040 P28482 MAP kinase ERK2 86.74% 83.82%
CHEMBL1293249 Q13887 Kruppel-like factor 5 86.53% 86.33%
CHEMBL4208 P20618 Proteasome component C5 86.50% 90.00%
CHEMBL5608 Q16288 NT-3 growth factor receptor 86.36% 95.89%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 86.27% 91.11%
CHEMBL3091268 Q92753 Nuclear receptor ROR-beta 86.09% 95.50%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 85.89% 94.00%
CHEMBL3492 P49721 Proteasome Macropain subunit 84.77% 90.24%
CHEMBL240 Q12809 HERG 83.52% 89.76%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 82.32% 95.56%
CHEMBL301 P24941 Cyclin-dependent kinase 2 82.07% 91.23%

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.
Krameria erecta
Krameria lanceolata

Cross-Links

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PubChem 14352598
LOTUS LTS0130815
wikiData Q104914401