Biatriosporin E

Details

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Internal ID 53545b52-9b8a-4690-b6b9-e0441a431fb1
Taxonomy Organoheterocyclic compounds > Naphthofurans
IUPAC Name (4S)-4,6-dihydroxy-8-methoxy-2,4-dimethylbenzo[g][1]benzofuran-5-one
SMILES (Canonical) CC1=CC2=C(O1)C3=C(C(=CC(=C3)OC)O)C(=O)C2(C)O
SMILES (Isomeric) CC1=CC2=C(O1)C3=C(C(=CC(=C3)OC)O)C(=O)[C@@]2(C)O
InChI InChI=1S/C15H14O5/c1-7-4-10-13(20-7)9-5-8(19-3)6-11(16)12(9)14(17)15(10,2)18/h4-6,16,18H,1-3H3/t15-/m0/s1
InChI Key XLFSZABUFXTZTF-HNNXBMFYSA-N
Popularity 1 reference in papers

Physical and Chemical Properties

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Molecular Formula C15H14O5
Molecular Weight 274.27 g/mol
Exact Mass 274.08412354 g/mol
Topological Polar Surface Area (TPSA) 79.90 Ų
XlogP 2.30

Synonyms

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CHEMBL3969940

2D Structure

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2D Structure of Biatriosporin 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
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 98.51% 91.11%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 94.46% 95.56%
CHEMBL4208 P20618 Proteasome component C5 93.60% 90.00%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 93.56% 94.00%
CHEMBL1293249 Q13887 Kruppel-like factor 5 91.94% 86.33%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 91.81% 99.15%
CHEMBL215 P09917 Arachidonate 5-lipoxygenase 88.79% 92.68%
CHEMBL2007 P16234 Platelet-derived growth factor receptor alpha 87.18% 91.07%
CHEMBL3192 Q9BY41 Histone deacetylase 8 86.98% 93.99%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 86.65% 99.23%
CHEMBL3401 O75469 Pregnane X receptor 86.31% 94.73%
CHEMBL3492 P49721 Proteasome Macropain subunit 85.52% 90.24%
CHEMBL3880 P07900 Heat shock protein HSP 90-alpha 84.74% 96.21%
CHEMBL4793 Q86TI2 Dipeptidyl peptidase IX 83.10% 96.95%
CHEMBL1806 P11388 DNA topoisomerase II alpha 81.56% 89.00%
CHEMBL3922 P50579 Methionine aminopeptidase 2 80.70% 97.28%
CHEMBL3060 Q9Y345 Glycine transporter 2 80.24% 99.17%

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 132523662
LOTUS LTS0068507
wikiData Q105329939