6(5H)-Phenanthridinone, 9-methyl-

Details

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Internal ID 35883734-0e30-485e-95e1-bda563ef227c
Taxonomy Organoheterocyclic compounds > Quinolines and derivatives > Benzoquinolines > Phenanthridines and derivatives
IUPAC Name 9-methyl-5H-phenanthridin-6-one
SMILES (Canonical) CC1=CC2=C(C=C1)C(=O)NC3=CC=CC=C32
SMILES (Isomeric) CC1=CC2=C(C=C1)C(=O)NC3=CC=CC=C32
InChI InChI=1S/C14H11NO/c1-9-6-7-11-12(8-9)10-4-2-3-5-13(10)15-14(11)16/h2-8H,1H3,(H,15,16)
InChI Key RNKGUYMQALAAEY-UHFFFAOYSA-N
Popularity 7 references in papers

Physical and Chemical Properties

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Molecular Formula C14H11NO
Molecular Weight 209.24 g/mol
Exact Mass 209.084063974 g/mol
Topological Polar Surface Area (TPSA) 29.10 Ų
XlogP 2.80

Synonyms

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107622-37-7
DTXSID90467244

2D Structure

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2D Structure of 6(5H)-Phenanthridinone, 9-methyl-

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 97.64% 95.56%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 91.73% 91.11%
CHEMBL2581 P07339 Cathepsin D 90.97% 98.95%
CHEMBL2035 P08912 Muscarinic acetylcholine receptor M5 86.90% 94.62%
CHEMBL1806 P11388 DNA topoisomerase II alpha 84.97% 89.00%
CHEMBL2535 P11166 Glucose transporter 84.10% 98.75%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 83.97% 99.23%
CHEMBL4481 P35228 Nitric oxide synthase, inducible 82.98% 94.80%
CHEMBL3401 O75469 Pregnane X receptor 82.95% 94.73%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 82.63% 85.14%
CHEMBL3192 Q9BY41 Histone deacetylase 8 81.57% 93.99%
CHEMBL2288 Q13526 Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 81.55% 91.71%
CHEMBL2717 Q9HCR9 Phosphodiesterase 11A 80.11% 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.
Glycosmis cyanocarpa

Cross-Links

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PubChem 11481210
LOTUS LTS0127612
wikiData Q82294065