(6R,7R,8S)-8-(4-hydroxy-3-methoxyphenyl)-3-methoxy-6,7-dimethyl-5,6,7,8-tetrahydronaphthalen-2-ol

Details

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Internal ID 584b6905-eb55-4630-9aaf-c4323b82dbc9
Taxonomy Lignans, neolignans and related compounds > Aryltetralin lignans
IUPAC Name (6R,7R,8S)-8-(4-hydroxy-3-methoxyphenyl)-3-methoxy-6,7-dimethyl-5,6,7,8-tetrahydronaphthalen-2-ol
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C20H24O4/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/h5-6,8-12,20-22H,7H2,1-4H3/t11-,12-,20+/m1/s1
InChI Key TZAAYUCUPIYQBR-HTGLOVNISA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C20H24O4
Molecular Weight 328.40 g/mol
Exact Mass 328.16745924 g/mol
Topological Polar Surface Area (TPSA) 58.90 Ų
XlogP 4.50

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of (6R,7R,8S)-8-(4-hydroxy-3-methoxyphenyl)-3-methoxy-6,7-dimethyl-5,6,7,8-tetrahydronaphthalen-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
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 98.51% 91.11%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 97.33% 96.09%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 95.21% 85.14%
CHEMBL241 Q14432 Phosphodiesterase 3A 92.88% 92.94%
CHEMBL225 P28335 Serotonin 2c (5-HT2c) receptor 90.68% 89.62%
CHEMBL3438 Q05513 Protein kinase C zeta 89.30% 88.48%
CHEMBL1293249 Q13887 Kruppel-like factor 5 87.99% 86.33%
CHEMBL3137262 O60341 LSD1/CoREST complex 87.72% 97.09%
CHEMBL5608 Q16288 NT-3 growth factor receptor 87.42% 95.89%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 87.15% 95.56%
CHEMBL2041 P07949 Tyrosine-protein kinase receptor RET 87.08% 91.79%
CHEMBL1951 P21397 Monoamine oxidase A 86.67% 91.49%
CHEMBL2535 P11166 Glucose transporter 85.05% 98.75%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 84.38% 99.15%
CHEMBL3060 Q9Y345 Glycine transporter 2 83.95% 99.17%
CHEMBL4247 Q9UM73 ALK tyrosine kinase receptor 83.80% 96.86%
CHEMBL2581 P07339 Cathepsin D 83.19% 98.95%
CHEMBL4208 P20618 Proteasome component C5 82.86% 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.
Iryanthera juruensis

Cross-Links

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PubChem 101145057
LOTUS LTS0121401
wikiData Q105267848