3-Methyl-9H-carbazole-9-carbaldehyde

Details

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Internal ID 9da6c0d5-0942-4a38-86f0-7ad954c2c281
Taxonomy Organoheterocyclic compounds > Indoles and derivatives > Carbazoles > N-acylcarbazoles
IUPAC Name 3-methylcarbazole-9-carbaldehyde
SMILES (Canonical) CC1=CC2=C(C=C1)N(C3=CC=CC=C32)C=O
SMILES (Isomeric) CC1=CC2=C(C=C1)N(C3=CC=CC=C32)C=O
InChI InChI=1S/C14H11NO/c1-10-6-7-14-12(8-10)11-4-2-3-5-13(11)15(14)9-16/h2-9H,1H3
InChI Key ODQBPNZNDIOBFN-UHFFFAOYSA-N
Popularity 3 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) 22.00 Ų
XlogP 3.60

Synonyms

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3-Methyl-9H-carbazole-9-carboxaldehyde
3-methylcarbazole-9-carbaldehyde
9-formyl-3-methylcarbazole
9-Formyl-3-methyl-9H-carbazole

2D Structure

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2D Structure of 3-Methyl-9H-carbazole-9-carbaldehyde

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 98.47% 95.56%
CHEMBL2581 P07339 Cathepsin D 92.99% 98.95%
CHEMBL3401 O75469 Pregnane X receptor 89.82% 94.73%
CHEMBL1806 P11388 DNA topoisomerase II alpha 85.90% 89.00%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 83.38% 96.09%
CHEMBL2035 P08912 Muscarinic acetylcholine receptor M5 82.66% 94.62%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 82.19% 85.14%
CHEMBL1868 P17948 Vascular endothelial growth factor receptor 1 82.03% 96.47%
CHEMBL5409 Q8TDU6 G-protein coupled bile acid receptor 1 81.71% 93.65%

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.
Murraya koenigii

Cross-Links

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PubChem 10058925
LOTUS LTS0073160
wikiData Q105189973