(2R)-5-hydroxy-2-(3-hydroxyprop-1-en-2-yl)-11-methyl-1,2-dihydrofuro[2,3-c]acridin-6-one

Details

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Internal ID b7eeb284-4160-4893-a098-aca7109c0a84
Taxonomy Organoheterocyclic compounds > Quinolines and derivatives > Benzoquinolines > Acridines > Acridones
IUPAC Name (2R)-5-hydroxy-2-(3-hydroxyprop-1-en-2-yl)-11-methyl-1,2-dihydrofuro[2,3-c]acridin-6-one
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C19H17NO4/c1-10(9-21)15-7-12-16(24-15)8-14(22)17-18(12)20(2)13-6-4-3-5-11(13)19(17)23/h3-6,8,15,21-22H,1,7,9H2,2H3/t15-/m1/s1
InChI Key LTIJMFZBJZDNOD-OAHLLOKOSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C19H17NO4
Molecular Weight 323.30 g/mol
Exact Mass 323.11575802 g/mol
Topological Polar Surface Area (TPSA) 70.00 Ų
XlogP 3.40

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of (2R)-5-hydroxy-2-(3-hydroxyprop-1-en-2-yl)-11-methyl-1,2-dihydrofuro[2,3-c]acridin-6-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 98.24% 98.95%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 98.13% 95.56%
CHEMBL3192 Q9BY41 Histone deacetylase 8 97.69% 93.99%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 97.45% 91.11%
CHEMBL1951 P21397 Monoamine oxidase A 97.02% 91.49%
CHEMBL1806 P11388 DNA topoisomerase II alpha 96.31% 89.00%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 95.13% 96.09%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 94.80% 85.14%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 88.72% 99.23%
CHEMBL5697 Q9GZT9 Egl nine homolog 1 87.15% 93.40%
CHEMBL1293249 Q13887 Kruppel-like factor 5 86.77% 86.33%
CHEMBL3004 P33527 Multidrug resistance-associated protein 1 86.70% 96.37%
CHEMBL3476 O15111 Inhibitor of nuclear factor kappa B kinase alpha subunit 86.50% 95.83%
CHEMBL5409 Q8TDU6 G-protein coupled bile acid receptor 1 84.65% 93.65%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 84.22% 94.00%
CHEMBL3384 Q16512 Protein kinase N1 83.51% 80.71%
CHEMBL1899 P46098 Serotonin 3a (5-HT3a) receptor 80.93% 100.00%
CHEMBL253 P34972 Cannabinoid CB2 receptor 80.54% 97.25%
CHEMBL5103 Q969S8 Histone deacetylase 10 80.40% 90.08%

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.
Thamnosma montana

Cross-Links

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PubChem 162911975
LOTUS LTS0126812
wikiData Q105156958