Eurotiumin C

Details

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Internal ID b05396ea-d284-4cab-97c1-aa89c81aedfa
Taxonomy Organoheterocyclic compounds > Indoles and derivatives > Indoles
IUPAC Name (3Z,6Z)-3-ethylidene-6-[[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]methylidene]piperazine-2,5-dione
SMILES (Canonical) CC=C1C(=O)NC(=CC2=C(NC3=CC=CC=C32)C(C)(C)C=C)C(=O)N1
SMILES (Isomeric) C/C=C\1/C(=O)N/C(=C\C2=C(NC3=CC=CC=C32)C(C)(C)C=C)/C(=O)N1
InChI InChI=1S/C20H21N3O2/c1-5-14-18(24)23-16(19(25)22-14)11-13-12-9-7-8-10-15(12)21-17(13)20(3,4)6-2/h5-11,21H,2H2,1,3-4H3,(H,22,25)(H,23,24)/b14-5-,16-11-
InChI Key NZJGQSUIQDSMTO-HXAMTLIVSA-N
Popularity 1 reference in papers

Physical and Chemical Properties

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Molecular Formula C20H21N3O2
Molecular Weight 335.40 g/mol
Exact Mass 335.16337692 g/mol
Topological Polar Surface Area (TPSA) 74.00 Ų
XlogP 3.80

Synonyms

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(3Z,6Z)-3-ethylidene-6-[[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]methylidene]piperazine-2,5-dione
(3Z,6Z)-3-ethylidene-6-((2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl)methylidene)piperazine-2,5-dione
RefChem:139552
CHEBI:213401

2D Structure

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2D Structure of Eurotiumin 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
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 98.19% 95.56%
CHEMBL2581 P07339 Cathepsin D 93.25% 98.95%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 90.38% 91.11%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 88.96% 99.23%
CHEMBL2708 Q16584 Mitogen-activated protein kinase kinase kinase 11 87.26% 81.14%
CHEMBL3401 O75469 Pregnane X receptor 87.02% 94.73%
CHEMBL255 P29275 Adenosine A2b receptor 86.60% 98.59%
CHEMBL3524 P56524 Histone deacetylase 4 85.66% 92.97%
CHEMBL1937 Q92769 Histone deacetylase 2 84.32% 94.75%
CHEMBL4481 P35228 Nitric oxide synthase, inducible 83.97% 94.80%
CHEMBL1806 P11388 DNA topoisomerase II alpha 83.33% 89.00%
CHEMBL5103 Q969S8 Histone deacetylase 10 83.28% 90.08%
CHEMBL3310 Q96DB2 Histone deacetylase 11 81.94% 88.56%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 80.11% 94.45%

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 139590603
LOTUS LTS0218637
wikiData Q105188107