3,5,6,7-Tetramethoxyphenanthrene-1,4-dione

Details

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Internal ID 0c69e947-ccbb-4643-b650-f894aa270459
Taxonomy Benzenoids > Phenanthrenes and derivatives > Hydrophenanthrenes
IUPAC Name 3,5,6,7-tetramethoxyphenanthrene-1,4-dione
SMILES (Canonical) COC1=CC(=O)C2=C(C1=O)C3=C(C(=C(C=C3C=C2)OC)OC)OC
SMILES (Isomeric) COC1=CC(=O)C2=C(C1=O)C3=C(C(=C(C=C3C=C2)OC)OC)OC
InChI InChI=1S/C18H16O6/c1-21-12-8-11(19)10-6-5-9-7-13(22-2)17(23-3)18(24-4)14(9)15(10)16(12)20/h5-8H,1-4H3
InChI Key VGIOMSHQGNUITE-UHFFFAOYSA-N
Popularity 1 reference in papers

Physical and Chemical Properties

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Molecular Formula C18H16O6
Molecular Weight 328.30 g/mol
Exact Mass 328.09468823 g/mol
Topological Polar Surface Area (TPSA) 71.10 Ų
XlogP 2.80

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 3,5,6,7-Tetramethoxyphenanthrene-1,4-dione

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
CHEMBL1293249 Q13887 Kruppel-like factor 5 93.27% 86.33%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 92.26% 95.56%
CHEMBL2378 P30307 Dual specificity phosphatase Cdc25C 91.20% 96.67%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 90.70% 96.00%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 90.54% 94.00%
CHEMBL2581 P07339 Cathepsin D 89.47% 98.95%
CHEMBL1255126 O15151 Protein Mdm4 88.82% 90.20%
CHEMBL2535 P11166 Glucose transporter 88.53% 98.75%
CHEMBL1907 P15144 Aminopeptidase N 88.38% 93.31%
CHEMBL2708 Q16584 Mitogen-activated protein kinase kinase kinase 11 85.49% 81.14%
CHEMBL4247 Q9UM73 ALK tyrosine kinase receptor 84.03% 96.86%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 83.93% 91.11%
CHEMBL2085 P14174 Macrophage migration inhibitory factor 82.38% 80.78%
CHEMBL3060 Q9Y345 Glycine transporter 2 81.97% 99.17%
CHEMBL4208 P20618 Proteasome component C5 81.76% 90.00%
CHEMBL5925 P22413 Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 81.28% 92.38%

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.
Calanthe arisanensis

Cross-Links

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PubChem 21593745
LOTUS LTS0058120
wikiData Q105285820