2,7-Dihydroxy-4,8-dimethoxy-9,10-dihydrophenanthrene

Details

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Internal ID 1c1a46cd-0515-4cb1-9956-edfc5116887c
Taxonomy Benzenoids > Phenanthrenes and derivatives > Hydrophenanthrenes
IUPAC Name 1,5-dimethoxy-9,10-dihydrophenanthrene-2,7-diol
SMILES (Canonical) COC1=CC(=CC2=C1C3=C(CC2)C(=C(C=C3)O)OC)O
SMILES (Isomeric) COC1=CC(=CC2=C1C3=C(CC2)C(=C(C=C3)O)OC)O
InChI InChI=1S/C16H16O4/c1-19-14-8-10(17)7-9-3-4-12-11(15(9)14)5-6-13(18)16(12)20-2/h5-8,17-18H,3-4H2,1-2H3
InChI Key KJDGXFKUTZFDTK-UHFFFAOYSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C16H16O4
Molecular Weight 272.29 g/mol
Exact Mass 272.10485899 g/mol
Topological Polar Surface Area (TPSA) 58.90 Ų
XlogP 3.10

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 2,7-Dihydroxy-4,8-dimethoxy-9,10-dihydrophenanthrene

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 99.02% 91.11%
CHEMBL1951 P21397 Monoamine oxidase A 98.63% 91.49%
CHEMBL242 Q92731 Estrogen receptor beta 96.47% 98.35%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 94.60% 96.09%
CHEMBL4208 P20618 Proteasome component C5 92.34% 90.00%
CHEMBL1293249 Q13887 Kruppel-like factor 5 91.64% 86.33%
CHEMBL2535 P11166 Glucose transporter 91.52% 98.75%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 90.53% 95.56%
CHEMBL2056 P21728 Dopamine D1 receptor 89.01% 91.00%
CHEMBL3060 Q9Y345 Glycine transporter 2 88.48% 99.17%
CHEMBL2581 P07339 Cathepsin D 88.46% 98.95%
CHEMBL2041 P07949 Tyrosine-protein kinase receptor RET 87.71% 91.79%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 87.28% 99.15%
CHEMBL225 P28335 Serotonin 2c (5-HT2c) receptor 83.92% 89.62%
CHEMBL5311 P37023 Serine/threonine-protein kinase receptor R3 82.99% 82.67%
CHEMBL3194 P02766 Transthyretin 81.82% 90.71%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 81.67% 94.00%
CHEMBL5339 Q5NUL3 G-protein coupled receptor 120 81.00% 95.78%
CHEMBL1163101 O75460 Serine/threonine-protein kinase/endoribonuclease IRE1 80.74% 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.
Eulophia nuda

Cross-Links

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PubChem 155919943
LOTUS LTS0073452
wikiData Q105141790