1-Methoxy-3-methyl-9H-carbazole

Details

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Internal ID 6417ca3a-6862-45d0-925b-46a90ae81590
Taxonomy Organoheterocyclic compounds > Indoles and derivatives > Carbazoles
IUPAC Name 1-methoxy-3-methyl-9H-carbazole
SMILES (Canonical) CC1=CC2=C(C(=C1)OC)NC3=CC=CC=C32
SMILES (Isomeric) CC1=CC2=C(C(=C1)OC)NC3=CC=CC=C32
InChI InChI=1S/C14H13NO/c1-9-7-11-10-5-3-4-6-12(10)15-14(11)13(8-9)16-2/h3-8,15H,1-2H3
InChI Key HDETUOZJFUNSKG-UHFFFAOYSA-N
Popularity 25 references in papers

Physical and Chemical Properties

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Molecular Formula C14H13NO
Molecular Weight 211.26 g/mol
Exact Mass 211.099714038 g/mol
Topological Polar Surface Area (TPSA) 25.00 Ų
XlogP 3.70

Synonyms

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4532-33-6
Murrayafoline A
DTXSID90327415
murrayafoline-A
RefChem:160145
DTXCID80278528
112-419-7
1-methoxy-3-methylcarbazole
MFCD18452402
Murrayafolin a
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of 1-Methoxy-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
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 94.70% 91.11%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 94.56% 95.56%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 92.09% 96.09%
CHEMBL2535 P11166 Glucose transporter 88.20% 98.75%
CHEMBL2581 P07339 Cathepsin D 87.17% 98.95%
CHEMBL4145 Q9UKV0 Histone deacetylase 9 87.09% 85.49%
CHEMBL4302 P08183 P-glycoprotein 1 85.94% 92.98%
CHEMBL3192 Q9BY41 Histone deacetylase 8 84.88% 93.99%
CHEMBL2002 P12268 Inosine-5'-monophosphate dehydrogenase 2 84.82% 98.21%
CHEMBL213 P08588 Beta-1 adrenergic receptor 84.66% 95.56%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 84.04% 94.00%
CHEMBL5979 P05186 Alkaline phosphatase, tissue-nonspecific isozyme 83.42% 85.40%
CHEMBL1907 P15144 Aminopeptidase N 83.29% 93.31%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 83.17% 85.14%
CHEMBL2288 Q13526 Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 81.55% 91.71%
CHEMBL2885 P07451 Carbonic anhydrase III 80.93% 87.45%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 80.51% 94.45%

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 crenulata
Bergera euchrestifolia
Bergera koenigii
Bergera kwangsiensis
Bergera stenocarpa
Clausena excavata
Clausena heptaphylla

Cross-Links

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PubChem 375150
NPASS NPC242928
ChEMBL CHEMBL490667
LOTUS LTS0072118
wikiData Q82089208