(2S)-2-prop-1-en-2-yl-2,11-dihydro-1H-furo[2,3-c]acridin-6-one

Details

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Internal ID 6c5c5d6c-d8ad-436d-b67d-7a74d431b46a
Taxonomy Organoheterocyclic compounds > Quinolines and derivatives > Benzoquinolines > Acridines > Acridones
IUPAC Name (2S)-2-prop-1-en-2-yl-2,11-dihydro-1H-furo[2,3-c]acridin-6-one
SMILES (Canonical) CC(=C)C1CC2=C(O1)C=CC3=C2NC4=CC=CC=C4C3=O
SMILES (Isomeric) CC(=C)[C@@H]1CC2=C(O1)C=CC3=C2NC4=CC=CC=C4C3=O
InChI InChI=1S/C18H15NO2/c1-10(2)16-9-13-15(21-16)8-7-12-17(13)19-14-6-4-3-5-11(14)18(12)20/h3-8,16H,1,9H2,2H3,(H,19,20)/t16-/m0/s1
InChI Key FRMZBXPPHFLARB-INIZCTEOSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C18H15NO2
Molecular Weight 277.30 g/mol
Exact Mass 277.110278721 g/mol
Topological Polar Surface Area (TPSA) 38.30 Ų
XlogP 4.30

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of (2S)-2-prop-1-en-2-yl-2,11-dihydro-1H-furo[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
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 98.96% 91.11%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 96.69% 95.56%
CHEMBL1951 P21397 Monoamine oxidase A 96.34% 91.49%
CHEMBL2581 P07339 Cathepsin D 94.96% 98.95%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 94.22% 94.45%
CHEMBL4481 P35228 Nitric oxide synthase, inducible 93.74% 94.80%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 92.04% 99.23%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 92.02% 85.14%
CHEMBL1806 P11388 DNA topoisomerase II alpha 91.35% 89.00%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 90.85% 96.09%
CHEMBL255 P29275 Adenosine A2b receptor 89.60% 98.59%
CHEMBL3310 Q96DB2 Histone deacetylase 11 87.13% 88.56%
CHEMBL3137262 O60341 LSD1/CoREST complex 85.23% 97.09%
CHEMBL2095226 P05556 Integrin alpha-5/beta-1 84.21% 96.39%
CHEMBL2002 P12268 Inosine-5'-monophosphate dehydrogenase 2 83.28% 98.21%
CHEMBL1994 P08235 Mineralocorticoid receptor 81.70% 100.00%
CHEMBL5103 Q969S8 Histone deacetylase 10 80.38% 90.08%
CHEMBL2717 Q9HCR9 Phosphodiesterase 11A 80.00% 85.00%

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.
Ruta chalepensis

Cross-Links

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PubChem 163188873
LOTUS LTS0094078
wikiData Q105000286