6-methyl-1-[[(2R,3R)-3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methyl]-9H-carbazole-2,7-diol

Details

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Internal ID 1137a195-cf9f-464d-9a90-d385f45ef202
Taxonomy Organoheterocyclic compounds > Indoles and derivatives > Carbazoles
IUPAC Name 6-methyl-1-[[(2R,3R)-3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methyl]-9H-carbazole-2,7-diol
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C23H27NO3/c1-13(2)6-5-9-23(4)21(27-23)11-17-19(25)8-7-15-16-10-14(3)20(26)12-18(16)24-22(15)17/h6-8,10,12,21,24-26H,5,9,11H2,1-4H3/t21-,23-/m1/s1
InChI Key UYTBVHGZBBQOOF-FYYLOGMGSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C23H27NO3
Molecular Weight 365.50 g/mol
Exact Mass 365.19909372 g/mol
Topological Polar Surface Area (TPSA) 68.80 Ų
XlogP 5.60

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 6-methyl-1-[[(2R,3R)-3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methyl]-9H-carbazole-2,7-diol

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 99.81% 91.11%
CHEMBL1951 P21397 Monoamine oxidase A 99.65% 91.49%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 98.95% 94.45%
CHEMBL1937 Q92769 Histone deacetylase 2 96.81% 94.75%
CHEMBL1806 P11388 DNA topoisomerase II alpha 93.33% 89.00%
CHEMBL5697 Q9GZT9 Egl nine homolog 1 91.12% 93.40%
CHEMBL255 P29275 Adenosine A2b receptor 90.93% 98.59%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 89.55% 95.56%
CHEMBL241 Q14432 Phosphodiesterase 3A 89.53% 92.94%
CHEMBL2581 P07339 Cathepsin D 89.40% 98.95%
CHEMBL1994 P08235 Mineralocorticoid receptor 88.83% 100.00%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 87.82% 96.09%
CHEMBL1293249 Q13887 Kruppel-like factor 5 87.38% 86.33%
CHEMBL3137262 O60341 LSD1/CoREST complex 87.02% 97.09%
CHEMBL2041 P07949 Tyrosine-protein kinase receptor RET 86.64% 91.79%
CHEMBL3401 O75469 Pregnane X receptor 86.05% 94.73%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 84.44% 99.15%
CHEMBL3192 Q9BY41 Histone deacetylase 8 83.66% 93.99%
CHEMBL279 P35968 Vascular endothelial growth factor receptor 2 83.37% 95.52%
CHEMBL213 P08588 Beta-1 adrenergic receptor 82.61% 95.56%
CHEMBL5608 Q16288 NT-3 growth factor receptor 81.04% 95.89%
CHEMBL2288 Q13526 Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 80.72% 91.71%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 80.59% 85.14%
CHEMBL3310 Q96DB2 Histone deacetylase 11 80.05% 88.56%

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 162883612
LOTUS LTS0241235
wikiData Q105281925