Fluostatin E

Details

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Internal ID 1a793381-1916-4eb5-9ab7-4de9381f1856
Taxonomy Benzenoids > Fluorenes
IUPAC Name (1R,2S,3R)-3-chloro-1,2,6,7-tetrahydroxy-3-methyl-1,2-dihydrobenzo[a]fluorene-4,11-dione
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C18H13ClO6/c1-18(19)16(24)7-5-9(21)12-10-6(3-2-4-8(10)20)14(22)13(12)11(7)15(23)17(18)25/h2-5,15,17,20-21,23,25H,1H3/t15-,17+,18+/m1/s1
InChI Key WXDSJSLCLHLHSW-NJAFHUGGSA-N
Popularity 6 references in papers

Physical and Chemical Properties

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Molecular Formula C18H13ClO6
Molecular Weight 360.70 g/mol
Exact Mass 360.0400658 g/mol
Topological Polar Surface Area (TPSA) 115.00 Ų
XlogP 1.30

Synonyms

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CHEMBL2164972
(1R,2S,3R)-3-chloro-1,2,6,7-tetrahydroxy-3-methyl-1,2-dihydrobenzo[a]fluorene-4,11-dione

2D Structure

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2D Structure of Fluostatin E

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 97.74% 98.95%
CHEMBL1951 P21397 Monoamine oxidase A 97.53% 91.49%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 96.98% 91.11%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 95.71% 95.56%
CHEMBL4685 P14902 Indoleamine 2,3-dioxygenase 94.51% 96.38%
CHEMBL1937 Q92769 Histone deacetylase 2 92.78% 94.75%
CHEMBL1806 P11388 DNA topoisomerase II alpha 91.63% 89.00%
CHEMBL4026 P40763 Signal transducer and activator of transcription 3 89.81% 82.69%
CHEMBL3401 O75469 Pregnane X receptor 89.52% 94.73%
CHEMBL1907600 Q00535 Cyclin-dependent kinase 5/CDK5 activator 1 88.98% 93.03%
CHEMBL1293249 Q13887 Kruppel-like factor 5 88.61% 86.33%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 85.21% 99.23%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 84.84% 99.15%
CHEMBL2553 Q15418 Ribosomal protein S6 kinase alpha 1 83.19% 85.11%
CHEMBL5697 Q9GZT9 Egl nine homolog 1 81.37% 93.40%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 80.13% 90.71%
CHEMBL2535 P11166 Glucose transporter 80.12% 98.75%

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.
There are no matching plants.

Cross-Links

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PubChem 11653403
LOTUS LTS0200826
wikiData Q77573208