(-)-Chestnutamide

Details

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Internal ID 80694be2-e291-4acf-82b8-37469d7cea9e
Taxonomy Organoheterocyclic compounds > Quinolines and derivatives
IUPAC Name 9,11-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),3,5,7-tetraene-2,12-dione
SMILES (Canonical) C1CC(=O)N2C1CC3=C2NC4=CC=CC=C4C3=O
SMILES (Isomeric) C1CC(=O)N2C1CC3=C2NC4=CC=CC=C4C3=O
InChI InChI=1S/C14H12N2O2/c17-12-6-5-8-7-10-13(18)9-3-1-2-4-11(9)15-14(10)16(8)12/h1-4,8H,5-7H2,(H,15,18)
InChI Key RGLGKZJBPLWSML-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C14H12N2O2
Molecular Weight 240.26 g/mol
Exact Mass 240.089877630 g/mol
Topological Polar Surface Area (TPSA) 49.40 Ų
XlogP 1.30

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of (-)-Chestnutamide

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
CHEMBL3192 Q9BY41 Histone deacetylase 8 97.47% 93.99%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 95.81% 95.56%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 95.71% 91.11%
CHEMBL2581 P07339 Cathepsin D 94.88% 98.95%
CHEMBL216 P11229 Muscarinic acetylcholine receptor M1 94.52% 94.23%
CHEMBL3310 Q96DB2 Histone deacetylase 11 93.21% 88.56%
CHEMBL4040 P28482 MAP kinase ERK2 90.07% 83.82%
CHEMBL5697 Q9GZT9 Egl nine homolog 1 89.86% 93.40%
CHEMBL4302 P08183 P-glycoprotein 1 89.21% 92.98%
CHEMBL3137262 O60341 LSD1/CoREST complex 88.33% 97.09%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 87.93% 99.23%
CHEMBL2095172 P14867 GABA-A receptor; alpha-1/beta-2/gamma-2 87.79% 92.67%
CHEMBL3155 P34969 Serotonin 7 (5-HT7) receptor 87.49% 90.71%
CHEMBL5103 Q969S8 Histone deacetylase 10 87.40% 90.08%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 86.91% 94.45%
CHEMBL217 P14416 Dopamine D2 receptor 86.50% 95.62%
CHEMBL2094127 P06493 Cyclin-dependent kinase 1/cyclin B 86.27% 96.00%
CHEMBL2535 P11166 Glucose transporter 85.77% 98.75%
CHEMBL1951 P21397 Monoamine oxidase A 85.71% 91.49%
CHEMBL2035 P08912 Muscarinic acetylcholine receptor M5 84.43% 94.62%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 83.13% 96.09%
CHEMBL255 P29275 Adenosine A2b receptor 83.08% 98.59%
CHEMBL1806 P11388 DNA topoisomerase II alpha 81.34% 89.00%
CHEMBL1937 Q92769 Histone deacetylase 2 80.73% 94.75%
CHEMBL5608 Q16288 NT-3 growth factor receptor 80.58% 95.89%

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.
Castanea mollissima

Cross-Links

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PubChem 163184283
LOTUS LTS0194212
wikiData Q105235933