9,10-Dihydro-5,6,8-trimethoxy-3,4-phenanthrenediol

Details

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Internal ID fcfc7802-bcc9-41a1-8a42-716661ac95f8
Taxonomy Benzenoids > Phenanthrenes and derivatives > Hydrophenanthrenes
IUPAC Name 5,6,8-trimethoxy-9,10-dihydrophenanthrene-3,4-diol
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C17H18O5/c1-20-12-8-13(21-2)17(22-3)15-10(12)6-4-9-5-7-11(18)16(19)14(9)15/h5,7-8,18-19H,4,6H2,1-3H3
InChI Key YKNPNQJMTYXYGI-UHFFFAOYSA-N
Popularity 4 references in papers

Physical and Chemical Properties

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Molecular Formula C17H18O5
Molecular Weight 302.32 g/mol
Exact Mass 302.11542367 g/mol
Topological Polar Surface Area (TPSA) 68.20 Ų
XlogP 3.00

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 9,10-Dihydro-5,6,8-trimethoxy-3,4-phenanthrenediol

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 99.03% 91.11%
CHEMBL1951 P21397 Monoamine oxidase A 97.66% 91.49%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 93.57% 96.09%
CHEMBL2041 P07949 Tyrosine-protein kinase receptor RET 93.44% 91.79%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 89.96% 94.45%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 89.48% 94.00%
CHEMBL4208 P20618 Proteasome component C5 88.61% 90.00%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 88.61% 95.56%
CHEMBL1293249 Q13887 Kruppel-like factor 5 88.18% 86.33%
CHEMBL3192 Q9BY41 Histone deacetylase 8 87.84% 93.99%
CHEMBL1913 P09619 Platelet-derived growth factor receptor beta 86.88% 95.70%
CHEMBL2535 P11166 Glucose transporter 85.93% 98.75%
CHEMBL2056 P21728 Dopamine D1 receptor 85.20% 91.00%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 84.85% 99.15%
CHEMBL3060 Q9Y345 Glycine transporter 2 84.78% 99.17%
CHEMBL225 P28335 Serotonin 2c (5-HT2c) receptor 84.58% 89.62%
CHEMBL215 P09917 Arachidonate 5-lipoxygenase 83.58% 92.68%
CHEMBL241 Q14432 Phosphodiesterase 3A 83.00% 92.94%
CHEMBL5608 Q16288 NT-3 growth factor receptor 81.50% 95.89%
CHEMBL4355 O14976 Serine/threonine-protein kinase GAK 80.31% 89.32%
CHEMBL1163101 O75460 Serine/threonine-protein kinase/endoribonuclease IRE1 80.26% 98.11%

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.
Dioscorea prazeri

Cross-Links

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PubChem 129856043
LOTUS LTS0074302
wikiData Q105349788