7-Methoxy-2-phenyl-3-prop-1-en-2-yl-1,2,3,4-tetrahydronaphthalene-1,5-diol

Details

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Internal ID e67a7bfd-9b86-470e-8e1a-b9bc28eaec42
Taxonomy Benzenoids > Naphthalenes > Phenylnaphthalenes
IUPAC Name 7-methoxy-2-phenyl-3-prop-1-en-2-yl-1,2,3,4-tetrahydronaphthalene-1,5-diol
SMILES (Canonical) CC(=C)C1CC2=C(C=C(C=C2O)OC)C(C1C3=CC=CC=C3)O
SMILES (Isomeric) CC(=C)C1CC2=C(C=C(C=C2O)OC)C(C1C3=CC=CC=C3)O
InChI InChI=1S/C20H22O3/c1-12(2)15-11-16-17(9-14(23-3)10-18(16)21)20(22)19(15)13-7-5-4-6-8-13/h4-10,15,19-22H,1,11H2,2-3H3
InChI Key OGWAQMQGHCSXMO-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C20H22O3
Molecular Weight 310.40 g/mol
Exact Mass 310.15689456 g/mol
Topological Polar Surface Area (TPSA) 49.70 Ų
XlogP 4.00

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 7-Methoxy-2-phenyl-3-prop-1-en-2-yl-1,2,3,4-tetrahydronaphthalene-1,5-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 98.97% 91.11%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 97.80% 96.09%
CHEMBL1951 P21397 Monoamine oxidase A 95.65% 91.49%
CHEMBL2581 P07339 Cathepsin D 93.77% 98.95%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 92.43% 95.56%
CHEMBL1293249 Q13887 Kruppel-like factor 5 89.87% 86.33%
CHEMBL3438 Q05513 Protein kinase C zeta 89.34% 88.48%
CHEMBL5608 Q16288 NT-3 growth factor receptor 86.75% 95.89%
CHEMBL2535 P11166 Glucose transporter 85.57% 98.75%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 85.12% 85.14%
CHEMBL2056 P21728 Dopamine D1 receptor 85.09% 91.00%
CHEMBL1821 P08173 Muscarinic acetylcholine receptor M4 84.49% 94.08%
CHEMBL240 Q12809 HERG 83.88% 89.76%
CHEMBL3060 Q9Y345 Glycine transporter 2 83.07% 99.17%
CHEMBL3137262 O60341 LSD1/CoREST complex 82.75% 97.09%
CHEMBL2146302 O94925 Glutaminase kidney isoform, mitochondrial 81.53% 100.00%
CHEMBL1808 P12821 Angiotensin-converting enzyme 81.28% 93.39%

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.
Carex distachya

Cross-Links

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PubChem 162977193
LOTUS LTS0018544
wikiData Q105191894