(2R)-2-(2-hydroxypropan-2-yl)-10-methoxy-2,9-dihydro-1H-cyclopenta[b]carbazol-3-one

Details

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Internal ID 5075ad90-051f-4e24-aa93-4edff90fd985
Taxonomy Organoheterocyclic compounds > Indoles and derivatives > Carbazoles
IUPAC Name (2R)-2-(2-hydroxypropan-2-yl)-10-methoxy-2,9-dihydro-1H-cyclopenta[b]carbazol-3-one
SMILES (Canonical) CC(C)(C1CC2=C(C1=O)C=C3C4=CC=CC=C4NC3=C2OC)O
SMILES (Isomeric) CC(C)([C@H]1CC2=C(C1=O)C=C3C4=CC=CC=C4NC3=C2OC)O
InChI InChI=1S/C19H19NO3/c1-19(2,22)14-9-13-12(17(14)21)8-11-10-6-4-5-7-15(10)20-16(11)18(13)23-3/h4-8,14,20,22H,9H2,1-3H3/t14-/m0/s1
InChI Key HUVMTAAZSQULAB-AWEZNQCLSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C19H19NO3
Molecular Weight 309.40 g/mol
Exact Mass 309.13649347 g/mol
Topological Polar Surface Area (TPSA) 62.30 Ų
XlogP 3.60

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of (2R)-2-(2-hydroxypropan-2-yl)-10-methoxy-2,9-dihydro-1H-cyclopenta[b]carbazol-3-one

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 98.78% 91.11%
CHEMBL2581 P07339 Cathepsin D 97.04% 98.95%
CHEMBL2535 P11166 Glucose transporter 95.65% 98.75%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 94.73% 85.14%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 94.52% 95.56%
CHEMBL240 Q12809 HERG 93.66% 89.76%
CHEMBL253 P34972 Cannabinoid CB2 receptor 92.56% 97.25%
CHEMBL1806 P11388 DNA topoisomerase II alpha 92.04% 89.00%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 91.65% 96.09%
CHEMBL213 P08588 Beta-1 adrenergic receptor 89.56% 95.56%
CHEMBL1907 P15144 Aminopeptidase N 89.25% 93.31%
CHEMBL2708 Q16584 Mitogen-activated protein kinase kinase kinase 11 87.94% 81.14%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 87.81% 94.00%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 87.17% 99.23%
CHEMBL1293249 Q13887 Kruppel-like factor 5 86.69% 86.33%
CHEMBL4302 P08183 P-glycoprotein 1 86.67% 92.98%
CHEMBL2095226 P05556 Integrin alpha-5/beta-1 85.34% 96.39%
CHEMBL1951 P21397 Monoamine oxidase A 84.57% 91.49%
CHEMBL3137262 O60341 LSD1/CoREST complex 84.43% 97.09%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 83.80% 94.45%
CHEMBL255 P29275 Adenosine A2b receptor 81.99% 98.59%
CHEMBL2373 P21730 C5a anaphylatoxin chemotactic receptor 81.14% 92.62%
CHEMBL5409 Q8TDU6 G-protein coupled bile acid receptor 1 81.14% 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.
Clausena lansium

Cross-Links

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PubChem 163185292
LOTUS LTS0255564
wikiData Q105034071