(3R)-3,7-dihydroxy-2,2,10-trimethyl-3,4-dihydropyrano[2,3-b]quinolin-5-one

Details

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Internal ID f59f3877-4db5-4a1a-a993-9fc7863096a5
Taxonomy Organoheterocyclic compounds > Quinolines and derivatives > Quinolones and derivatives > Pyranoquinolines
IUPAC Name (3R)-3,7-dihydroxy-2,2,10-trimethyl-3,4-dihydropyrano[2,3-b]quinolin-5-one
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C15H17NO4/c1-15(2)12(18)7-10-13(19)9-6-8(17)4-5-11(9)16(3)14(10)20-15/h4-6,12,17-18H,7H2,1-3H3/t12-/m1/s1
InChI Key FQIQQNIQIRUWGC-GFCCVEGCSA-N
Popularity 3 references in papers

Physical and Chemical Properties

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Molecular Formula C15H17NO4
Molecular Weight 275.30 g/mol
Exact Mass 275.11575802 g/mol
Topological Polar Surface Area (TPSA) 70.00 Ų
XlogP 1.60

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of (3R)-3,7-dihydroxy-2,2,10-trimethyl-3,4-dihydropyrano[2,3-b]quinolin-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
CHEMBL2581 P07339 Cathepsin D 97.86% 98.95%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 96.42% 95.56%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 95.66% 85.14%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 95.61% 96.09%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 95.59% 91.11%
CHEMBL1806 P11388 DNA topoisomerase II alpha 94.66% 89.00%
CHEMBL5697 Q9GZT9 Egl nine homolog 1 93.05% 93.40%
CHEMBL1293249 Q13887 Kruppel-like factor 5 87.63% 86.33%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 86.80% 99.23%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 85.09% 90.71%
CHEMBL5608 Q16288 NT-3 growth factor receptor 83.82% 95.89%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 81.93% 94.45%
CHEMBL2553 Q15418 Ribosomal protein S6 kinase alpha 1 81.86% 85.11%
CHEMBL5852 Q96P65 Pyroglutamylated RFamide peptide receptor 81.67% 85.00%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 81.04% 94.00%
CHEMBL217 P14416 Dopamine D2 receptor 80.70% 95.62%
CHEMBL2535 P11166 Glucose transporter 80.51% 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.
Balfourodendron riedelianum

Cross-Links

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PubChem 92147291
LOTUS LTS0080643
wikiData Q104999669