1-methoxy-2-[(9-methoxycarbazol-3-yl)methyl]-3-methyl-9H-carbazole

Details

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Internal ID 833baa77-eff0-44c4-8560-0b3fe5d62b45
Taxonomy Organoheterocyclic compounds > Indoles and derivatives > Carbazoles
IUPAC Name 1-methoxy-2-[(9-methoxycarbazol-3-yl)methyl]-3-methyl-9H-carbazole
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C28H24N2O2/c1-17-14-23-19-8-4-6-10-24(19)29-27(23)28(31-2)21(17)15-18-12-13-26-22(16-18)20-9-5-7-11-25(20)30(26)32-3/h4-14,16,29H,15H2,1-3H3
InChI Key YYRPUELRJDVFIY-UHFFFAOYSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C28H24N2O2
Molecular Weight 420.50 g/mol
Exact Mass 420.183778013 g/mol
Topological Polar Surface Area (TPSA) 39.20 Ų
XlogP 7.50

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 1-methoxy-2-[(9-methoxycarbazol-3-yl)methyl]-3-methyl-9H-carbazole

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
CHEMBL240 Q12809 HERG 97.73% 89.76%
CHEMBL2581 P07339 Cathepsin D 96.27% 98.95%
CHEMBL3192 Q9BY41 Histone deacetylase 8 96.02% 93.99%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 94.59% 96.09%
CHEMBL4145 Q9UKV0 Histone deacetylase 9 94.56% 85.49%
CHEMBL2095172 P14867 GABA-A receptor; alpha-1/beta-2/gamma-2 94.16% 92.67%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 93.27% 95.56%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 93.12% 94.45%
CHEMBL335 P18031 Protein-tyrosine phosphatase 1B 93.02% 95.17%
CHEMBL4302 P08183 P-glycoprotein 1 92.52% 92.98%
CHEMBL2288 Q13526 Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 91.91% 91.71%
CHEMBL255 P29275 Adenosine A2b receptor 91.76% 98.59%
CHEMBL2716 Q8WUI4 Histone deacetylase 7 91.06% 89.44%
CHEMBL4793 Q86TI2 Dipeptidyl peptidase IX 89.56% 96.95%
CHEMBL4657 Q6V1X1 Dipeptidyl peptidase VIII 89.33% 97.21%
CHEMBL235 P37231 Peroxisome proliferator-activated receptor gamma 89.19% 95.39%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 88.87% 91.11%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 87.65% 94.00%
CHEMBL1293249 Q13887 Kruppel-like factor 5 87.14% 86.33%
CHEMBL2535 P11166 Glucose transporter 86.61% 98.75%
CHEMBL2885 P07451 Carbonic anhydrase III 83.49% 87.45%
CHEMBL2047 Q96RI1 Bile acid receptor FXR 81.96% 96.10%
CHEMBL4072 P07858 Cathepsin B 81.69% 93.67%
CHEMBL1806 P11388 DNA topoisomerase II alpha 81.34% 89.00%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 81.02% 85.14%
CHEMBL215 P09917 Arachidonate 5-lipoxygenase 80.23% 92.68%
CHEMBL2373 P21730 C5a anaphylatoxin chemotactic receptor 80.21% 92.62%

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.
Bergera euchrestifolia

Cross-Links

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PubChem 14138124
LOTUS LTS0075248
wikiData Q105368876