Ifflaiamine

Details

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Internal ID 3b370665-f48c-47b1-b3f6-75953c7b2308
Taxonomy Organoheterocyclic compounds > Quinolines and derivatives > Dihydrofuranoquinolines
IUPAC Name 2,3,3,9-tetramethyl-2H-furo[2,3-b]quinolin-4-one
SMILES (Canonical) CC1C(C2=C(O1)N(C3=CC=CC=C3C2=O)C)(C)C
SMILES (Isomeric) CC1C(C2=C(O1)N(C3=CC=CC=C3C2=O)C)(C)C
InChI InChI=1S/C15H17NO2/c1-9-15(2,3)12-13(17)10-7-5-6-8-11(10)16(4)14(12)18-9/h5-9H,1-4H3
InChI Key QLPMLMDURILOQO-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C15H17NO2
Molecular Weight 243.30 g/mol
Exact Mass 243.125928785 g/mol
Topological Polar Surface Area (TPSA) 29.50 Ų
XlogP 3.20

Synonyms

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31520-95-3
2,3,3,9-Tetramethyl-2H-furo[2,3-b]quinolin-4-one
AKOS032949076

2D Structure

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2D Structure of Ifflaiamine

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
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 97.76% 95.56%
CHEMBL2581 P07339 Cathepsin D 93.70% 98.95%
CHEMBL1806 P11388 DNA topoisomerase II alpha 91.80% 89.00%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 91.79% 99.23%
CHEMBL1293249 Q13887 Kruppel-like factor 5 89.33% 86.33%
CHEMBL253 P34972 Cannabinoid CB2 receptor 88.39% 97.25%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 86.71% 85.14%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 85.63% 96.09%
CHEMBL3192 Q9BY41 Histone deacetylase 8 84.14% 93.99%
CHEMBL5697 Q9GZT9 Egl nine homolog 1 83.42% 93.40%
CHEMBL3401 O75469 Pregnane X receptor 81.73% 94.73%
CHEMBL5805 Q9NR97 Toll-like receptor 8 81.70% 96.25%
CHEMBL5103 Q969S8 Histone deacetylase 10 81.49% 90.08%
CHEMBL4478 Q00975 Voltage-gated N-type calcium channel alpha-1B subunit 81.01% 97.14%
CHEMBL3045 P05771 Protein kinase C beta 80.90% 97.63%
CHEMBL1899 P46098 Serotonin 3a (5-HT3a) receptor 80.33% 100.00%

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.
Flindersia ifflana
Uvaria kweichowensis
Uvaria rufa

Cross-Links

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PubChem 12310788
LOTUS LTS0228546
wikiData Q105205690