1-(2-Hydroxy-4,7-dimethoxyphenanthren-1-yl)-4,7-dimethoxyphenanthren-2-ol

Details

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Internal ID b20aec9c-6a6c-4212-8abf-7f71c8e237a9
Taxonomy Benzenoids > Phenanthrenes and derivatives > Phenanthrols
IUPAC Name 1-(2-hydroxy-4,7-dimethoxyphenanthren-1-yl)-4,7-dimethoxyphenanthren-2-ol
SMILES (Canonical) COC1=CC2=C(C=C1)C3=C(C=C(C(=C3C=C2)C4=C5C=CC6=C(C5=C(C=C4O)OC)C=CC(=C6)OC)O)OC
SMILES (Isomeric) COC1=CC2=C(C=C1)C3=C(C=C(C(=C3C=C2)C4=C5C=CC6=C(C5=C(C=C4O)OC)C=CC(=C6)OC)O)OC
InChI InChI=1S/C32H26O6/c1-35-19-7-11-21-17(13-19)5-9-23-29(21)27(37-3)15-25(33)31(23)32-24-10-6-18-14-20(36-2)8-12-22(18)30(24)28(38-4)16-26(32)34/h5-16,33-34H,1-4H3
InChI Key OYYLGWXTPCWTAJ-UHFFFAOYSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C32H26O6
Molecular Weight 506.50 g/mol
Exact Mass 506.17293854 g/mol
Topological Polar Surface Area (TPSA) 77.40 Ų
XlogP 7.70

Synonyms

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4,4',7,7'-Tetramethoxy-1,1'-biphenanthrene-2,2'-diol

2D Structure

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2D Structure of 1-(2-Hydroxy-4,7-dimethoxyphenanthren-1-yl)-4,7-dimethoxyphenanthren-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 98.87% 91.11%
CHEMBL4208 P20618 Proteasome component C5 92.88% 90.00%
CHEMBL2041 P07949 Tyrosine-protein kinase receptor RET 92.41% 91.79%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 92.37% 99.15%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 91.85% 94.00%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 90.16% 95.56%
CHEMBL3192 Q9BY41 Histone deacetylase 8 90.14% 93.99%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 89.57% 94.45%
CHEMBL241 Q14432 Phosphodiesterase 3A 87.46% 92.94%
CHEMBL3060 Q9Y345 Glycine transporter 2 87.35% 99.17%
CHEMBL2535 P11166 Glucose transporter 86.95% 98.75%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 86.86% 96.00%
CHEMBL1907 P15144 Aminopeptidase N 84.09% 93.31%
CHEMBL225 P28335 Serotonin 2c (5-HT2c) receptor 84.05% 89.62%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 83.40% 96.09%
CHEMBL2373 P21730 C5a anaphylatoxin chemotactic receptor 83.35% 92.62%
CHEMBL4016 P42262 Glutamate receptor ionotropic, AMPA 2 83.18% 86.92%
CHEMBL215 P09917 Arachidonate 5-lipoxygenase 82.09% 92.68%
CHEMBL1255126 O15151 Protein Mdm4 81.68% 90.20%
CHEMBL1293249 Q13887 Kruppel-like factor 5 81.50% 86.33%
CHEMBL2581 P07339 Cathepsin D 80.75% 98.95%
CHEMBL3085 P43003 Excitatory amino acid transporter 1 80.27% 94.67%

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.
Cremastra appendiculata
Eriodes barbata

Cross-Links

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PubChem 11684843
NPASS NPC71465
ChEMBL CHEMBL498129
LOTUS LTS0140235
wikiData Q105203613