Clauraila A

Details

Top
Internal ID 0c02ff8d-4098-447a-87cf-2677d0dd31a6
Taxonomy Organoheterocyclic compounds > Indoles and derivatives > Carbazoles
IUPAC Name 1,7-dimethoxy-9H-carbazole-3-carbaldehyde
SMILES (Canonical) COC1=CC2=C(C=C1)C3=C(N2)C(=CC(=C3)C=O)OC
SMILES (Isomeric) COC1=CC2=C(C=C1)C3=C(N2)C(=CC(=C3)C=O)OC
InChI InChI=1S/C15H13NO3/c1-18-10-3-4-11-12-5-9(8-17)6-14(19-2)15(12)16-13(11)7-10/h3-8,16H,1-2H3
InChI Key LEYWMXGGVZTHDM-UHFFFAOYSA-N
Popularity 5 references in papers

Physical and Chemical Properties

Top
Molecular Formula C15H13NO3
Molecular Weight 255.27 g/mol
Exact Mass 255.08954328 g/mol
Topological Polar Surface Area (TPSA) 51.30 Ų
XlogP 2.80

Synonyms

Top
CHEBI:69922
Claurailas A
Clauralia A
CHEMBL1689795
Q27138266

2D Structure

Top
2D Structure of Clauraila A

3D Structure

Top

ADMET Properties (via admetSAR 2)

Top
Target Value Probability (raw) Probability (%)
No predicted properties yet!

Targets

Top

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 97.60% 95.56%
CHEMBL1951 P21397 Monoamine oxidase A 97.42% 91.49%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 96.83% 94.45%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 94.71% 91.11%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 93.31% 96.09%
CHEMBL1907 P15144 Aminopeptidase N 88.84% 93.31%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 88.68% 96.00%
CHEMBL4208 P20618 Proteasome component C5 88.38% 90.00%
CHEMBL2292 Q13627 Dual-specificity tyrosine-phosphorylation regulated kinase 1A 87.06% 93.24%
CHEMBL4016 P42262 Glutamate receptor ionotropic, AMPA 2 86.95% 86.92%
CHEMBL2535 P11166 Glucose transporter 86.16% 98.75%
CHEMBL1293249 Q13887 Kruppel-like factor 5 84.28% 86.33%
CHEMBL255 P29275 Adenosine A2b receptor 84.21% 98.59%
CHEMBL3060 Q9Y345 Glycine transporter 2 83.43% 99.17%
CHEMBL4224 P49759 Dual specificty protein kinase CLK1 82.04% 85.30%
CHEMBL2288 Q13526 Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 80.91% 91.71%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 80.77% 94.00%

Plants that contains it

Top
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.
Clausena harmandiana

Cross-Links

Top
PubChem 51039825
NPASS NPC208084
ChEMBL CHEMBL1689795
LOTUS LTS0011133
wikiData Q27138266