(9R)-4-methoxy-9,10-dihydrophenanthrene-2,5,9-triol

Details

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Internal ID bdcdaee4-4ebe-45eb-b9d6-0845cfa6adf7
Taxonomy Benzenoids > Phenanthrenes and derivatives > Hydrophenanthrenes
IUPAC Name (9R)-4-methoxy-9,10-dihydrophenanthrene-2,5,9-triol
SMILES (Canonical) COC1=CC(=CC2=C1C3=C(C=CC=C3O)C(C2)O)O
SMILES (Isomeric) COC1=CC(=CC2=C1C3=C(C=CC=C3O)[C@@H](C2)O)O
InChI InChI=1S/C15H14O4/c1-19-13-7-9(16)5-8-6-12(18)10-3-2-4-11(17)15(10)14(8)13/h2-5,7,12,16-18H,6H2,1H3/t12-/m1/s1
InChI Key FRNDIOQCIXBSFC-GFCCVEGCSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C15H14O4
Molecular Weight 258.27 g/mol
Exact Mass 258.08920892 g/mol
Topological Polar Surface Area (TPSA) 69.90 Ų
XlogP 2.00

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of (9R)-4-methoxy-9,10-dihydrophenanthrene-2,5,9-triol

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 98.15% 91.11%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 96.51% 96.09%
CHEMBL2581 P07339 Cathepsin D 93.31% 98.95%
CHEMBL1951 P21397 Monoamine oxidase A 93.17% 91.49%
CHEMBL1293249 Q13887 Kruppel-like factor 5 93.06% 86.33%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 91.50% 95.56%
CHEMBL5608 Q16288 NT-3 growth factor receptor 91.31% 95.89%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 90.33% 94.45%
CHEMBL2535 P11166 Glucose transporter 89.54% 98.75%
CHEMBL4306 P22460 Voltage-gated potassium channel subunit Kv1.5 88.15% 94.03%
CHEMBL225 P28335 Serotonin 2c (5-HT2c) receptor 87.11% 89.62%
CHEMBL2056 P21728 Dopamine D1 receptor 85.69% 91.00%
CHEMBL3060 Q9Y345 Glycine transporter 2 85.28% 99.17%
CHEMBL4208 P20618 Proteasome component C5 84.38% 90.00%
CHEMBL3192 Q9BY41 Histone deacetylase 8 84.19% 93.99%
CHEMBL3137262 O60341 LSD1/CoREST complex 83.63% 97.09%
CHEMBL205 P00918 Carbonic anhydrase II 83.15% 98.44%
CHEMBL2041 P07949 Tyrosine-protein kinase receptor RET 82.51% 91.79%
CHEMBL217 P14416 Dopamine D2 receptor 82.31% 95.62%
CHEMBL1907603 Q05586 Glutamate NMDA receptor; GRIN1/GRIN2B 82.26% 95.89%
CHEMBL241 Q14432 Phosphodiesterase 3A 81.79% 92.94%
CHEMBL2146302 O94925 Glutaminase kidney isoform, mitochondrial 81.60% 100.00%
CHEMBL4793 Q86TI2 Dipeptidyl peptidase IX 81.34% 96.95%
CHEMBL4478 Q00975 Voltage-gated N-type calcium channel alpha-1B subunit 81.18% 97.14%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 80.83% 99.15%

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.
Dendrobium loddigesii
Dendrobium plicatile
Dendrobium rotundatum

Cross-Links

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PubChem 129360471
LOTUS LTS0099973
wikiData Q105000296