4-Methoxyphenanthrene-2,3,7-triol

Details

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Internal ID 752d1c50-15ac-4c58-a0c5-e6927bb1708b
Taxonomy Benzenoids > Phenanthrenes and derivatives > Phenanthrols
IUPAC Name 4-methoxyphenanthrene-2,3,7-triol
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C15H12O4/c1-19-15-13-9(7-12(17)14(15)18)3-2-8-6-10(16)4-5-11(8)13/h2-7,16-18H,1H3
InChI Key YBJKNBNSKTTXKK-UHFFFAOYSA-N
Popularity 4 references in papers

Physical and Chemical Properties

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Molecular Formula C15H12O4
Molecular Weight 256.25 g/mol
Exact Mass 256.07355886 g/mol
Topological Polar Surface Area (TPSA) 69.90 Ų
XlogP 3.30

Synonyms

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RefChem:99661
232950-07-1
CHEMBL4448456

2D Structure

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2D Structure of 4-Methoxyphenanthrene-2,3,7-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 99.12% 91.11%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 93.28% 94.45%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 92.07% 94.00%
CHEMBL1951 P21397 Monoamine oxidase A 91.56% 91.49%
CHEMBL242 Q92731 Estrogen receptor beta 89.29% 98.35%
CHEMBL215 P09917 Arachidonate 5-lipoxygenase 89.22% 92.68%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 89.00% 99.15%
CHEMBL3060 Q9Y345 Glycine transporter 2 85.26% 99.17%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 84.59% 96.09%
CHEMBL1293249 Q13887 Kruppel-like factor 5 84.49% 86.33%
CHEMBL225 P28335 Serotonin 2c (5-HT2c) receptor 83.66% 89.62%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 82.41% 95.56%
CHEMBL2535 P11166 Glucose transporter 81.33% 98.75%
CHEMBL4208 P20618 Proteasome component C5 80.84% 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.
Bulbophyllum vaginatum

Cross-Links

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PubChem 5319480
LOTUS LTS0191721
wikiData Q105345884