Flustramine C

Details

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Internal ID 1393b1fa-fcff-454b-b2dc-38430a359e31
Taxonomy Organoheterocyclic compounds > Indoles and derivatives > Pyrroloindoles
IUPAC Name (8bR)-6-bromo-3-methyl-8b-(2-methylbut-3-en-2-yl)-1,2-dihydropyrrolo[2,3-b]indole
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C16H19BrN2/c1-5-15(2,3)16-8-9-19(4)14(16)18-13-10-11(17)6-7-12(13)16/h5-7,10H,1,8-9H2,2-4H3/t16-/m1/s1
InChI Key FAMNDMIFKHXHGO-MRXNPFEDSA-N
Popularity 9 references in papers

Physical and Chemical Properties

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Molecular Formula C16H19BrN2
Molecular Weight 319.24 g/mol
Exact Mass 318.07316 g/mol
Topological Polar Surface Area (TPSA) 15.60 Ų
XlogP 3.70

Synonyms

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(8bR)-6-bromo-3-methyl-8b-(2-methylbut-3-en-2-yl)-1,2-dihydropyrrolo(2,3-b)indole
(8bR)-6-bromo-3-methyl-8b-(2-methylbut-3-en-2-yl)-1,2-dihydropyrrolo[2,3-b]indole
RefChem:141057
6-bromo-3-methyl-8b-(2-methylbut-3-en-2-yl)-1,2-dihydropyrrolo(2,3-b)indole
78127-86-3
CHEMBL524353

2D Structure

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2D Structure of Flustramine C

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
CHEMBL5697 Q9GZT9 Egl nine homolog 1 97.70% 93.40%
CHEMBL240 Q12809 HERG 97.33% 89.76%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 92.49% 95.56%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 91.97% 96.09%
CHEMBL2335 P42785 Lysosomal Pro-X carboxypeptidase 91.07% 100.00%
CHEMBL5409 Q8TDU6 G-protein coupled bile acid receptor 1 90.84% 93.65%
CHEMBL1293249 Q13887 Kruppel-like factor 5 90.84% 86.33%
CHEMBL225 P28335 Serotonin 2c (5-HT2c) receptor 90.54% 89.62%
CHEMBL4208 P20618 Proteasome component C5 90.11% 90.00%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 88.02% 94.45%
CHEMBL2581 P07339 Cathepsin D 86.68% 98.95%
CHEMBL5608 Q16288 NT-3 growth factor receptor 86.58% 95.89%
CHEMBL5805 Q9NR97 Toll-like receptor 8 85.96% 96.25%
CHEMBL253 P34972 Cannabinoid CB2 receptor 85.06% 97.25%
CHEMBL238 Q01959 Dopamine transporter 84.87% 95.88%
CHEMBL2781 P19634 Sodium/hydrogen exchanger 1 84.52% 90.24%
CHEMBL5014 O43353 Serine/threonine-protein kinase RIPK2 82.93% 86.79%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 82.91% 91.11%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 82.61% 94.00%
CHEMBL3492 P49721 Proteasome Macropain subunit 81.45% 90.24%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
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There are no matching plants.

Cross-Links

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PubChem 10041611
LOTUS LTS0184780
wikiData Q104992325