1,2,6-trihydroxy-7-methoxy-3-methyl-2,3-dihydro-1H-benzo[a]fluorene-4,11-dione

Details

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Internal ID 7a2b694f-c9b0-4d9d-b9cb-41abc29533bc
Taxonomy Benzenoids > Fluorenes
IUPAC Name 1,2,6-trihydroxy-7-methoxy-3-methyl-2,3-dihydro-1H-benzo[a]fluorene-4,11-dione
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C19H16O6/c1-7-16(21)9-6-10(20)14-12-8(4-3-5-11(12)25-2)18(23)15(14)13(9)19(24)17(7)22/h3-7,17,19-20,22,24H,1-2H3
InChI Key LFJLFBLBXBXDBL-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C19H16O6
Molecular Weight 340.30 g/mol
Exact Mass 340.09468823 g/mol
Topological Polar Surface Area (TPSA) 104.00 Ų
XlogP 1.30

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 1,2,6-trihydroxy-7-methoxy-3-methyl-2,3-dihydro-1H-benzo[a]fluorene-4,11-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 97.77% 98.95%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 96.63% 95.56%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 94.41% 91.11%
CHEMBL2535 P11166 Glucose transporter 93.99% 98.75%
CHEMBL4040 P28482 MAP kinase ERK2 93.79% 83.82%
CHEMBL1806 P11388 DNA topoisomerase II alpha 92.40% 89.00%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 91.91% 96.09%
CHEMBL1907600 Q00535 Cyclin-dependent kinase 5/CDK5 activator 1 90.01% 93.03%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 89.25% 99.23%
CHEMBL1293249 Q13887 Kruppel-like factor 5 88.67% 86.33%
CHEMBL4685 P14902 Indoleamine 2,3-dioxygenase 87.52% 96.38%
CHEMBL4247 Q9UM73 ALK tyrosine kinase receptor 86.86% 96.86%
CHEMBL5608 Q16288 NT-3 growth factor receptor 85.59% 95.89%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 85.58% 90.71%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 85.44% 96.00%
CHEMBL4306 P22460 Voltage-gated potassium channel subunit Kv1.5 84.78% 94.03%
CHEMBL241 Q14432 Phosphodiesterase 3A 83.73% 92.94%
CHEMBL4478 Q00975 Voltage-gated N-type calcium channel alpha-1B subunit 83.51% 97.14%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 82.82% 94.00%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 82.26% 99.15%
CHEMBL2146302 O94925 Glutaminase kidney isoform, mitochondrial 81.90% 100.00%
CHEMBL2094127 P06493 Cyclin-dependent kinase 1/cyclin B 80.78% 96.00%
CHEMBL4026 P40763 Signal transducer and activator of transcription 3 80.66% 82.69%
CHEMBL5925 P22413 Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 80.41% 92.38%
CHEMBL225 P28335 Serotonin 2c (5-HT2c) receptor 80.21% 89.62%

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 162815339
LOTUS LTS0084840
wikiData Q104170892