4-O-Methylhonokiol

Details

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Internal ID a82c7084-6376-44b9-beaf-f5a0aa3123e5
Taxonomy Benzenoids > Benzene and substituted derivatives > Biphenyls and derivatives
IUPAC Name 2-(4-methoxy-3-prop-2-enylphenyl)-4-prop-2-enylphenol
SMILES (Canonical) COC1=C(C=C(C=C1)C2=C(C=CC(=C2)CC=C)O)CC=C
SMILES (Isomeric) COC1=C(C=C(C=C1)C2=C(C=CC(=C2)CC=C)O)CC=C
InChI InChI=1S/C19H20O2/c1-4-6-14-8-10-18(20)17(12-14)15-9-11-19(21-3)16(13-15)7-5-2/h4-5,8-13,20H,1-2,6-7H2,3H3
InChI Key OQFHJKZVOALSPV-UHFFFAOYSA-N
Popularity 55 references in papers

Physical and Chemical Properties

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Molecular Formula C19H20O2
Molecular Weight 280.40 g/mol
Exact Mass 280.146329876 g/mol
Topological Polar Surface Area (TPSA) 29.50 Ų
XlogP 5.30

Synonyms

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68592-15-4
4-O-Methyl honokiol
METHYLHONOKIOL
4-methoxyhonokiol
4'-O-Methylhonokiol
TUH6B83HJW
CHEMBL89700
4'-METHOXY-3',5-DI-2-PROPENYL-(1,1'-BIPHENYL)-2-OL
HONOKIOL MONO-METHYL ETHER
NSC-293101
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-O-Methylhonokiol

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
CHEMBL215 P09917 Arachidonate 5-lipoxygenase 1500 nM
IC50
PMID: 19481465
CHEMBL253 P34972 Cannabinoid CB2 receptor 44 nM
44 nM
Ki
Ki
PMID: 24900561
via Super-PRED

Predicted Targets (via Super-PRED):

CHEMBL ID UniProt ID Name Probability Model accuracy
CHEMBL2581 P07339 Cathepsin D 97.25% 98.95%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 94.85% 96.09%
CHEMBL335 P18031 Protein-tyrosine phosphatase 1B 94.73% 95.17%
CHEMBL1951 P21397 Monoamine oxidase A 94.26% 91.49%
CHEMBL3492 P49721 Proteasome Macropain subunit 91.76% 90.24%
CHEMBL3060 Q9Y345 Glycine transporter 2 91.33% 99.17%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 91.32% 91.11%
CHEMBL1293249 Q13887 Kruppel-like factor 5 91.27% 86.33%
CHEMBL1255126 O15151 Protein Mdm4 90.76% 90.20%
CHEMBL5747 Q92793 CREB-binding protein 89.74% 95.12%
CHEMBL3194 P02766 Transthyretin 88.75% 90.71%
CHEMBL3091268 Q92753 Nuclear receptor ROR-beta 88.67% 95.50%
CHEMBL1163101 O75460 Serine/threonine-protein kinase/endoribonuclease IRE1 86.42% 98.11%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 86.24% 94.00%
CHEMBL5608 Q16288 NT-3 growth factor receptor 84.11% 95.89%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 83.67% 95.56%
CHEMBL4793 Q86TI2 Dipeptidyl peptidase IX 83.03% 96.95%
CHEMBL3438 Q05513 Protein kinase C zeta 81.41% 88.48%
CHEMBL2085 P14174 Macrophage migration inhibitory factor 81.14% 80.78%
CHEMBL4208 P20618 Proteasome component C5 80.20% 90.00%
CHEMBL1937 Q92769 Histone deacetylase 2 80.14% 94.75%

Cross-Links

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PubChem 155160
NPASS NPC35344
ChEMBL CHEMBL89700
LOTUS LTS0014450
wikiData Q4637186