8-(4-Hydroxy-3-methoxyphenyl)-3-methoxy-6,7-dimethylnaphthalen-2-ol

Details

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Internal ID 11e3ad2f-ab3a-4dca-89a1-a770deb89914
Taxonomy Lignans, neolignans and related compounds > Arylnaphthalene lignans
IUPAC Name 8-(4-hydroxy-3-methoxyphenyl)-3-methoxy-6,7-dimethylnaphthalen-2-ol
SMILES (Canonical) CC1=CC2=CC(=C(C=C2C(=C1C)C3=CC(=C(C=C3)O)OC)O)OC
SMILES (Isomeric) CC1=CC2=CC(=C(C=C2C(=C1C)C3=CC(=C(C=C3)O)OC)O)OC
InChI InChI=1S/C20H20O4/c1-11-7-14-9-19(24-4)17(22)10-15(14)20(12(11)2)13-5-6-16(21)18(8-13)23-3/h5-10,21-22H,1-4H3
InChI Key UZQGODFKIYWCJR-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C20H20O4
Molecular Weight 324.40 g/mol
Exact Mass 324.13615911 g/mol
Topological Polar Surface Area (TPSA) 58.90 Ų
XlogP 4.80

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 8-(4-Hydroxy-3-methoxyphenyl)-3-methoxy-6,7-dimethylnaphthalen-2-ol

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
CHEMBL1860 P10827 Thyroid hormone receptor alpha 96.51% 99.15%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 95.49% 91.11%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 93.04% 94.00%
CHEMBL1907 P15144 Aminopeptidase N 90.26% 93.31%
CHEMBL3438 Q05513 Protein kinase C zeta 89.45% 88.48%
CHEMBL241 Q14432 Phosphodiesterase 3A 87.78% 92.94%
CHEMBL1163101 O75460 Serine/threonine-protein kinase/endoribonuclease IRE1 87.76% 98.11%
CHEMBL1293249 Q13887 Kruppel-like factor 5 87.69% 86.33%
CHEMBL225 P28335 Serotonin 2c (5-HT2c) receptor 87.57% 89.62%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 87.04% 95.56%
CHEMBL2041 P07949 Tyrosine-protein kinase receptor RET 84.20% 91.79%
CHEMBL215 P09917 Arachidonate 5-lipoxygenase 83.98% 92.68%
CHEMBL2373 P21730 C5a anaphylatoxin chemotactic receptor 83.61% 92.62%
CHEMBL3085 P43003 Excitatory amino acid transporter 1 82.93% 94.67%
CHEMBL2581 P07339 Cathepsin D 82.87% 98.95%
CHEMBL4355 O14976 Serine/threonine-protein kinase GAK 82.81% 89.32%
CHEMBL1913 P09619 Platelet-derived growth factor receptor beta 82.69% 95.70%
CHEMBL1951 P21397 Monoamine oxidase A 82.37% 91.49%
CHEMBL3060 Q9Y345 Glycine transporter 2 82.22% 99.17%
CHEMBL5409 Q8TDU6 G-protein coupled bile acid receptor 1 80.09% 93.65%
CHEMBL1287628 Q9Y5S8 NADPH oxidase 1 80.00% 95.48%

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.
Knema furfuracea

Cross-Links

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PubChem 14534886
LOTUS LTS0055043
wikiData Q105282400