6,7-Dihydroxy-8-methoxy-2-propyl-2,3,3a,9b-tetrahydrofuro[3,2-c]isochromen-5-one

Details

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Internal ID 657cc010-03b6-4fa7-aaed-844661361f46
Taxonomy Organoheterocyclic compounds > Benzopyrans > 2-benzopyrans
IUPAC Name 6,7-dihydroxy-8-methoxy-2-propyl-2,3,3a,9b-tetrahydrofuro[3,2-c]isochromen-5-one
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C15H18O6/c1-3-4-7-5-10-14(20-7)8-6-9(19-2)12(16)13(17)11(8)15(18)21-10/h6-7,10,14,16-17H,3-5H2,1-2H3
InChI Key XFTQOARYRNZEFJ-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C15H18O6
Molecular Weight 294.30 g/mol
Exact Mass 294.11033829 g/mol
Topological Polar Surface Area (TPSA) 85.20 Ų
XlogP 2.60

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 6,7-Dihydroxy-8-methoxy-2-propyl-2,3,3a,9b-tetrahydrofuro[3,2-c]isochromen-5-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
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 98.49% 91.11%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 97.19% 85.14%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 94.89% 96.09%
CHEMBL1293249 Q13887 Kruppel-like factor 5 94.37% 86.33%
CHEMBL2373 P21730 C5a anaphylatoxin chemotactic receptor 91.33% 92.62%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 90.80% 94.45%
CHEMBL3137262 O60341 LSD1/CoREST complex 89.02% 97.09%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 88.61% 95.56%
CHEMBL2581 P07339 Cathepsin D 88.36% 98.95%
CHEMBL3060 Q9Y345 Glycine transporter 2 87.11% 99.17%
CHEMBL4793 Q86TI2 Dipeptidyl peptidase IX 86.13% 96.95%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 84.72% 94.00%
CHEMBL1806 P11388 DNA topoisomerase II alpha 83.49% 89.00%
CHEMBL3401 O75469 Pregnane X receptor 83.01% 94.73%
CHEMBL4657 Q6V1X1 Dipeptidyl peptidase VIII 82.38% 97.21%
CHEMBL4208 P20618 Proteasome component C5 82.10% 90.00%
CHEMBL5608 Q16288 NT-3 growth factor receptor 81.90% 95.89%
CHEMBL4478 Q00975 Voltage-gated N-type calcium channel alpha-1B subunit 80.84% 97.14%

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 75630724
LOTUS LTS0074337
wikiData Q105327291