(5R,7R)-7-[(E)-2-(1H-indol-5-yl)ethenyl]-7-methyl-5-(2-methylprop-1-enyl)-5,6-dihydro-1H-cyclopenta[f]indole

Details

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Internal ID 748a3705-bf82-4058-b945-6d1dc1b51c65
Taxonomy Organoheterocyclic compounds > Indoles and derivatives > Indoles
IUPAC Name (5R,7R)-7-[(E)-2-(1H-indol-5-yl)ethenyl]-7-methyl-5-(2-methylprop-1-enyl)-5,6-dihydro-1H-cyclopenta[f]indole
SMILES (Canonical) CC(=CC1CC(C2=C1C=C3C=CNC3=C2)(C)C=CC4=CC5=C(C=C4)NC=C5)C
SMILES (Isomeric) CC(=C[C@H]1C[C@](C2=C1C=C3C=CNC3=C2)(C)/C=C/C4=CC5=C(C=C4)NC=C5)C
InChI InChI=1S/C26H26N2/c1-17(2)12-21-16-26(3,23-15-25-20(8-11-28-25)14-22(21)23)9-6-18-4-5-24-19(13-18)7-10-27-24/h4-15,21,27-28H,16H2,1-3H3/b9-6+/t21-,26-/m0/s1
InChI Key FAQRBHZNMOOHPZ-UZCQPXAQSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C26H26N2
Molecular Weight 366.50 g/mol
Exact Mass 366.209598838 g/mol
Topological Polar Surface Area (TPSA) 31.60 Ų
XlogP 7.10

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of (5R,7R)-7-[(E)-2-(1H-indol-5-yl)ethenyl]-7-methyl-5-(2-methylprop-1-enyl)-5,6-dihydro-1H-cyclopenta[f]indole

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 99.29% 91.11%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 96.33% 96.09%
CHEMBL2996 Q05655 Protein kinase C delta 94.56% 97.79%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 93.53% 94.45%
CHEMBL2288 Q13526 Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 90.96% 91.71%
CHEMBL1937 Q92769 Histone deacetylase 2 90.04% 94.75%
CHEMBL241 Q14432 Phosphodiesterase 3A 89.87% 92.94%
CHEMBL3137262 O60341 LSD1/CoREST complex 89.12% 97.09%
CHEMBL2035 P08912 Muscarinic acetylcholine receptor M5 86.85% 94.62%
CHEMBL1994 P08235 Mineralocorticoid receptor 85.80% 100.00%
CHEMBL1293249 Q13887 Kruppel-like factor 5 85.71% 86.33%
CHEMBL2095226 P05556 Integrin alpha-5/beta-1 84.31% 96.39%
CHEMBL225 P28335 Serotonin 2c (5-HT2c) receptor 83.67% 89.62%
CHEMBL284 P27487 Dipeptidyl peptidase IV 82.63% 95.69%
CHEMBL4224 P49759 Dual specificty protein kinase CLK1 80.36% 85.30%
CHEMBL1951 P21397 Monoamine oxidase A 80.07% 91.49%

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.
Raputia praetermissa

Cross-Links

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PubChem 163186349
LOTUS LTS0053855
wikiData Q104992394