4-Methoxy-2-methyl-5-propan-2-ylphenol

Details

Top
Internal ID 52a631a9-41b6-4807-8da5-b78f8523cad0
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Monoterpenoids > Aromatic monoterpenoids
IUPAC Name 4-methoxy-2-methyl-5-propan-2-ylphenol
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C11H16O2/c1-7(2)9-6-10(12)8(3)5-11(9)13-4/h5-7,12H,1-4H3
InChI Key NXUKKIRUGGHAKL-UHFFFAOYSA-N
Popularity 3 references in papers

Physical and Chemical Properties

Top
Molecular Formula C11H16O2
Molecular Weight 180.24 g/mol
Exact Mass 180.115029749 g/mol
Topological Polar Surface Area (TPSA) 29.50 Ų
XlogP 2.80

Synonyms

Top
doi:10.14272/NXUKKIRUGGHAKL-UHFFFAOYSA-N.1

2D Structure

Top
2D Structure of 4-Methoxy-2-methyl-5-propan-2-ylphenol

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 94.64% 91.11%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 94.02% 99.15%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 87.30% 95.56%
CHEMBL2581 P07339 Cathepsin D 86.84% 98.95%
CHEMBL2535 P11166 Glucose transporter 85.56% 98.75%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 85.48% 96.09%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 84.96% 94.00%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 84.10% 85.14%
CHEMBL225 P28335 Serotonin 2c (5-HT2c) receptor 84.02% 89.62%
CHEMBL4657 Q6V1X1 Dipeptidyl peptidase VIII 82.93% 97.21%
CHEMBL4208 P20618 Proteasome component C5 80.60% 90.00%

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.
Calocedrus decurrens

Cross-Links

Top
PubChem 11105955
LOTUS LTS0047512
wikiData Q105187337