Murrayanine

Details

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Internal ID 8cdbd746-a2b9-4d60-806f-d59f5a662f89
Taxonomy Organoheterocyclic compounds > Indoles and derivatives > Carbazoles
IUPAC Name 1-methoxy-9H-carbazole-3-carbaldehyde
SMILES (Canonical) COC1=CC(=CC2=C1NC3=CC=CC=C32)C=O
SMILES (Isomeric) COC1=CC(=CC2=C1NC3=CC=CC=C32)C=O
InChI InChI=1S/C14H11NO2/c1-17-13-7-9(8-16)6-11-10-4-2-3-5-12(10)15-14(11)13/h2-8,15H,1H3
InChI Key FWNZQNAJETXQPP-UHFFFAOYSA-N
Popularity 36 references in papers

Physical and Chemical Properties

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Molecular Formula C14H11NO2
Molecular Weight 225.24 g/mol
Exact Mass 225.078978594 g/mol
Topological Polar Surface Area (TPSA) 42.10 Ų
XlogP 2.80

Synonyms

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1-Methoxy-9H-carbazole-3-carbaldehyde
723-97-7
9H-Carbazole-3-carboxaldehyde, 1-methoxy-
1-Methoxy-9H-carbazole-3-carboxaldehyde
3NIN8IA768
CHEBI:69934
NSC 94931
NSC-94931
C09228
3-Formyl-1-methoxycarbazole
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of Murrayanine

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 98.10% 95.56%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 95.39% 91.11%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 92.45% 96.09%
CHEMBL1951 P21397 Monoamine oxidase A 90.93% 91.49%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 89.84% 94.45%
CHEMBL2535 P11166 Glucose transporter 89.04% 98.75%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 87.70% 96.00%
CHEMBL2002 P12268 Inosine-5'-monophosphate dehydrogenase 2 87.26% 98.21%
CHEMBL1293249 Q13887 Kruppel-like factor 5 86.29% 86.33%
CHEMBL240 Q12809 HERG 85.06% 89.76%
CHEMBL2581 P07339 Cathepsin D 85.05% 98.95%
CHEMBL255 P29275 Adenosine A2b receptor 82.74% 98.59%
CHEMBL1255126 O15151 Protein Mdm4 81.35% 90.20%
CHEMBL3401 O75469 Pregnane X receptor 81.08% 94.73%
CHEMBL2716 Q8WUI4 Histone deacetylase 7 80.93% 89.44%
CHEMBL2288 Q13526 Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 80.83% 91.71%
CHEMBL1163101 O75460 Serine/threonine-protein kinase/endoribonuclease IRE1 80.36% 98.11%
CHEMBL2708 Q16584 Mitogen-activated protein kinase kinase kinase 11 80.29% 81.14%

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.
Atalantia stenocarpa
Clausena excavata
Clausena harmandiana
Clausena indica
Clausena lansium
Murraya euchrestifolia
Murraya koenigii
Murraya kwangsiensis
Murraya paniculata

Cross-Links

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PubChem 96942
NPASS NPC187501
ChEMBL CHEMBL1689802
LOTUS LTS0144992
wikiData Q27104978