Variecolorin J

Details

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Internal ID 532c99af-00f2-48a7-a309-2d515d2e6172
Taxonomy Organoheterocyclic compounds > Indoles and derivatives
IUPAC Name 5-hydroxy-6-[[2-(2-methylbut-3-en-2-yl)-5-(3-methylbut-2-enyl)indol-3-ylidene]methyl]-1,4-dihydropyrazine-2,3-dione
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C23H25N3O3/c1-6-23(4,5)19-16(12-18-20(27)26-22(29)21(28)25-18)15-11-14(8-7-13(2)3)9-10-17(15)24-19/h6-7,9-12H,1,8H2,2-5H3,(H,25,28)(H2,26,27,29)
InChI Key OZIZTTZINGFAIO-UHFFFAOYSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C23H25N3O3
Molecular Weight 391.50 g/mol
Exact Mass 391.18959167 g/mol
Topological Polar Surface Area (TPSA) 90.80 Ų
XlogP 4.00

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of Variecolorin J

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
CHEMBL2581 P07339 Cathepsin D 98.59% 98.95%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 96.59% 94.45%
CHEMBL1951 P21397 Monoamine oxidase A 94.26% 91.49%
CHEMBL3401 O75469 Pregnane X receptor 93.86% 94.73%
CHEMBL1293267 Q9HC97 G-protein coupled receptor 35 90.38% 89.34%
CHEMBL1929 P47989 Xanthine dehydrogenase 90.32% 96.12%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 89.95% 95.56%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 88.76% 96.09%
CHEMBL3830 Q2M2I8 Adaptor-associated kinase 88.48% 83.10%
CHEMBL1293249 Q13887 Kruppel-like factor 5 87.95% 86.33%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 85.73% 91.11%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 85.63% 85.14%
CHEMBL3060 Q9Y345 Glycine transporter 2 85.00% 99.17%
CHEMBL2107 P61073 C-X-C chemokine receptor type 4 84.50% 93.10%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 83.96% 94.00%
CHEMBL255 P29275 Adenosine A2b receptor 83.71% 98.59%
CHEMBL2535 P11166 Glucose transporter 83.65% 98.75%
CHEMBL5697 Q9GZT9 Egl nine homolog 1 82.92% 93.40%
CHEMBL2216739 Q92523 Carnitine O-palmitoyltransferase 1, muscle isoform 82.35% 88.33%
CHEMBL5608 Q16288 NT-3 growth factor receptor 81.96% 95.89%
CHEMBL3922 P50579 Methionine aminopeptidase 2 81.38% 97.28%
CHEMBL1907605 P24864 Cyclin-dependent kinase 2/cyclin E1 80.63% 92.88%
CHEMBL4145 Q9UKV0 Histone deacetylase 9 80.20% 85.49%

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.
There are no matching plants.

Cross-Links

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PubChem 136901934
LOTUS LTS0056850
wikiData Q77311067