5,6-Dimethoxy-7-phenylphenalen-1-one

Details

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Internal ID 83ed6922-88d8-48b0-9407-f137f2728209
Taxonomy Benzenoids > Naphthalenes > Phenylnaphthalenes
IUPAC Name 5,6-dimethoxy-7-phenylphenalen-1-one
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C21H16O3/c1-23-18-12-14-8-11-17(22)16-10-9-15(13-6-4-3-5-7-13)20(19(14)16)21(18)24-2/h3-12H,1-2H3
InChI Key FGRJGFQRMLTINV-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C21H16O3
Molecular Weight 316.30 g/mol
Exact Mass 316.109944368 g/mol
Topological Polar Surface Area (TPSA) 35.50 Ų
XlogP 4.80

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 5,6-Dimethoxy-7-phenylphenalen-1-one

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
CHEMBL2581 P07339 Cathepsin D 96.89% 98.95%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 96.16% 95.56%
CHEMBL1293249 Q13887 Kruppel-like factor 5 95.61% 86.33%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 93.71% 91.11%
CHEMBL2378 P30307 Dual specificity phosphatase Cdc25C 89.89% 96.67%
CHEMBL1907 P15144 Aminopeptidase N 88.37% 93.31%
CHEMBL1255126 O15151 Protein Mdm4 86.97% 90.20%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 86.44% 96.09%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 85.74% 96.00%
CHEMBL4478 Q00975 Voltage-gated N-type calcium channel alpha-1B subunit 84.87% 97.14%
CHEMBL4769 O95749 Geranylgeranyl pyrophosphate synthetase 83.95% 92.08%
CHEMBL3091268 Q92753 Nuclear receptor ROR-beta 83.61% 95.50%
CHEMBL1806 P11388 DNA topoisomerase II alpha 83.21% 89.00%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 82.03% 94.00%
CHEMBL3192 Q9BY41 Histone deacetylase 8 81.81% 93.99%
CHEMBL2535 P11166 Glucose transporter 80.73% 98.75%
CHEMBL4306 P22460 Voltage-gated potassium channel subunit Kv1.5 80.33% 94.03%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
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There are no matching plants.

Cross-Links

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PubChem 163097054
LOTUS LTS0092695
wikiData Q104995025