(9R)-9-ethyl-4,6,9,11-tetrahydroxy-8,10-dihydro-7H-tetracene-5,12-dione

Details

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Internal ID ece014de-299b-46fc-950c-c4ff74b4e0ea
Taxonomy Benzenoids > Naphthacenes > Tetracenequinones
IUPAC Name (9R)-9-ethyl-4,6,9,11-tetrahydroxy-8,10-dihydro-7H-tetracene-5,12-dione
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C20H18O6/c1-2-20(26)7-6-9-11(8-20)18(24)14-15(16(9)22)19(25)13-10(17(14)23)4-3-5-12(13)21/h3-5,21-22,24,26H,2,6-8H2,1H3/t20-/m1/s1
InChI Key KBFNMWTXAVESNN-HXUWFJFHSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C20H18O6
Molecular Weight 354.40 g/mol
Exact Mass 354.11033829 g/mol
Topological Polar Surface Area (TPSA) 115.00 Ų
XlogP 3.70

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of (9R)-9-ethyl-4,6,9,11-tetrahydroxy-8,10-dihydro-7H-tetracene-5,12-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
CHEMBL2581 P07339 Cathepsin D 98.92% 98.95%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 98.08% 91.11%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 95.74% 95.56%
CHEMBL1951 P21397 Monoamine oxidase A 94.46% 91.49%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 92.10% 96.09%
CHEMBL4685 P14902 Indoleamine 2,3-dioxygenase 91.49% 96.38%
CHEMBL1806 P11388 DNA topoisomerase II alpha 89.22% 89.00%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 88.82% 99.23%
CHEMBL2378 P30307 Dual specificity phosphatase Cdc25C 85.84% 96.67%
CHEMBL1937 Q92769 Histone deacetylase 2 83.75% 94.75%
CHEMBL4026 P40763 Signal transducer and activator of transcription 3 83.74% 82.69%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 82.44% 94.00%
CHEMBL253 P34972 Cannabinoid CB2 receptor 81.54% 97.25%
CHEMBL4208 P20618 Proteasome component C5 80.61% 90.00%

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 13670760
LOTUS LTS0028630
wikiData Q105138158