Propenylguaiacol

Details

Top
Internal ID a3da358f-76c1-43cf-b70a-e91e6b8fb9e7
Taxonomy Benzenoids > Phenols > Methoxyphenols
IUPAC Name 2-methoxy-4-prop-1-enylphenol
SMILES (Canonical) CC=CC1=CC(=C(C=C1)O)OC
SMILES (Isomeric) CC=CC1=CC(=C(C=C1)O)OC
InChI InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3-7,11H,1-2H3
InChI Key BJIOGJUNALELMI-UHFFFAOYSA-N
Popularity 255 references in papers

Physical and Chemical Properties

Top
Molecular Formula C10H12O2
Molecular Weight 164.20 g/mol
Exact Mass 164.083729621 g/mol
Topological Polar Surface Area (TPSA) 29.50 Ų
XlogP 2.60

Synonyms

Top
2-methoxy-4-prop-1-enylphenol
CHEBI:18224
2-methoxy-4-propenyl-Phenol
Phenol, 2-methoxy-4-(propenyl)-
DTXSID7022413
Epitope ID:114092
4-propenyl-2-methoxyphenol
CIS/TRANS-ISOEUGENOL
4-isopropenyl-2-methoxy-phenol
CHEMBL2135887
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

Top
2D Structure of Propenylguaiacol

3D Structure

Top

ADMET Properties (via admetSAR 2)

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

Targets

Top

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
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 98.01% 91.11%
CHEMBL3194 P02766 Transthyretin 93.41% 90.71%
CHEMBL1951 P21397 Monoamine oxidase A 92.82% 91.49%
CHEMBL1293249 Q13887 Kruppel-like factor 5 92.59% 86.33%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 92.42% 96.00%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 91.40% 95.56%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 90.23% 96.09%
CHEMBL225 P28335 Serotonin 2c (5-HT2c) receptor 86.96% 89.62%
CHEMBL3492 P49721 Proteasome Macropain subunit 86.84% 90.24%
CHEMBL4208 P20618 Proteasome component C5 84.54% 90.00%
CHEMBL2535 P11166 Glucose transporter 82.90% 98.75%
CHEMBL3060 Q9Y345 Glycine transporter 2 82.35% 99.17%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 81.65% 94.45%
CHEMBL1163101 O75460 Serine/threonine-protein kinase/endoribonuclease IRE1 81.52% 98.11%

Plants that contains it

Top
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.
Cinnamomum kotoense
Clinopodium gilliesii
Mandragora officinarum
Neomirandea guevarii
Origanum sipyleum
Perilla frutescens
Petunia axillaris
Syzygium aromaticum
Valeriana officinalis

Cross-Links

Top
PubChem 7338
LOTUS LTS0086128
wikiData Q420043