5,5'-Di-2-propenyl-3-methoxy-[1,1'-biphenyl]-2,2'-diol

Details

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Internal ID 55aa05cf-8015-4d9e-bbf7-0a0f8be7ec25
Taxonomy Benzenoids > Benzene and substituted derivatives > Biphenyls and derivatives
IUPAC Name 2-(2-hydroxy-5-prop-2-enylphenyl)-6-methoxy-4-prop-2-enylphenol
SMILES (Canonical) COC1=CC(=CC(=C1O)C2=C(C=CC(=C2)CC=C)O)CC=C
SMILES (Isomeric) COC1=CC(=CC(=C1O)C2=C(C=CC(=C2)CC=C)O)CC=C
InChI InChI=1S/C19H20O3/c1-4-6-13-8-9-17(20)15(10-13)16-11-14(7-5-2)12-18(22-3)19(16)21/h4-5,8-12,20-21H,1-2,6-7H2,3H3
InChI Key YJYOUDXYGAHCKS-UHFFFAOYSA-N
Popularity 3 references in papers

Physical and Chemical Properties

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Molecular Formula C19H20O3
Molecular Weight 296.40 g/mol
Exact Mass 296.14124450 g/mol
Topological Polar Surface Area (TPSA) 49.70 Ų
XlogP 5.00

Synonyms

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SCHEMBL18838050
5,5'-di-2-propenyl-3-methoxy-[1,1'-biphenyl]-2,2'-diol

2D Structure

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2D Structure of 5,5'-Di-2-propenyl-3-methoxy-[1,1'-biphenyl]-2,2'-diol

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
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 97.06% 91.11%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 95.72% 96.09%
CHEMBL2581 P07339 Cathepsin D 94.94% 98.95%
CHEMBL3492 P49721 Proteasome Macropain subunit 93.69% 90.24%
CHEMBL335 P18031 Protein-tyrosine phosphatase 1B 93.28% 95.17%
CHEMBL3060 Q9Y345 Glycine transporter 2 92.44% 99.17%
CHEMBL1163101 O75460 Serine/threonine-protein kinase/endoribonuclease IRE1 90.81% 98.11%
CHEMBL1293249 Q13887 Kruppel-like factor 5 89.04% 86.33%
CHEMBL4208 P20618 Proteasome component C5 87.24% 90.00%
CHEMBL1951 P21397 Monoamine oxidase A 86.48% 91.49%
CHEMBL5608 Q16288 NT-3 growth factor receptor 85.89% 95.89%
CHEMBL1255126 O15151 Protein Mdm4 85.73% 90.20%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 85.19% 95.56%
CHEMBL3091268 Q92753 Nuclear receptor ROR-beta 84.46% 95.50%
CHEMBL3194 P02766 Transthyretin 82.66% 90.71%
CHEMBL225 P28335 Serotonin 2c (5-HT2c) receptor 81.55% 89.62%

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.
Illicium dunnianum
Magnolia chevalieri
Magnolia henryi

Cross-Links

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PubChem 14282780
LOTUS LTS0273524
wikiData Q105349551