2-Methoxy-5-(7-methoxy-2H-1,3-benzodioxol-5-yl)phenol

Details

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Internal ID 413fe7dc-02d7-4b87-9a9b-964311f64ed4
Taxonomy Benzenoids > Phenols > Methoxyphenols
IUPAC Name 2-methoxy-5-(7-methoxy-1,3-benzodioxol-5-yl)phenol
SMILES (Canonical) COC1=C(C=C(C=C1)C2=CC3=C(C(=C2)OC)OCO3)O
SMILES (Isomeric) COC1=C(C=C(C=C1)C2=CC3=C(C(=C2)OC)OCO3)O
InChI InChI=1S/C15H14O5/c1-17-12-4-3-9(5-11(12)16)10-6-13(18-2)15-14(7-10)19-8-20-15/h3-7,16H,8H2,1-2H3
InChI Key VONRCGMJFIHOPV-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C15H14O5
Molecular Weight 274.27 g/mol
Exact Mass 274.08412354 g/mol
Topological Polar Surface Area (TPSA) 57.20 Ų
XlogP 2.90

Synonyms

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2-Methoxy-5-(7-methoxy-2H-1,3-benzodioxol-5-yl)phenol
DTXSID50771859

2D Structure

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2D Structure of 2-Methoxy-5-(7-methoxy-2H-1,3-benzodioxol-5-yl)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
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 95.75% 94.45%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 95.48% 96.09%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 92.17% 91.11%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 91.67% 94.00%
CHEMBL1293249 Q13887 Kruppel-like factor 5 91.55% 86.33%
CHEMBL3438 Q05513 Protein kinase C zeta 90.19% 88.48%
CHEMBL4303 P08238 Heat shock protein HSP 90-beta 89.95% 96.77%
CHEMBL5311 P37023 Serine/threonine-protein kinase receptor R3 89.95% 82.67%
CHEMBL2581 P07339 Cathepsin D 88.29% 98.95%
CHEMBL2373 P21730 C5a anaphylatoxin chemotactic receptor 86.01% 92.62%
CHEMBL4225 P49760 Dual specificity protein kinase CLK2 85.85% 80.96%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 85.27% 95.56%
CHEMBL5339 Q5NUL3 G-protein coupled receptor 120 85.18% 95.78%
CHEMBL241 Q14432 Phosphodiesterase 3A 84.33% 92.94%
CHEMBL1806 P11388 DNA topoisomerase II alpha 83.33% 89.00%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 82.76% 99.15%
CHEMBL5608 Q16288 NT-3 growth factor receptor 82.23% 95.89%
CHEMBL4208 P20618 Proteasome component C5 81.15% 90.00%

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.
Monnina salicifolia
Monnina sylvatica

Cross-Links

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PubChem 71345592
LOTUS LTS0071691
wikiData Q82731951