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Eudistomin W

Table of Contents

Details
Physical and Chemical Properties
Synonyms
2D Structure
3D Structure
ADMET Properties
Targets (proven and/or predicted)
Plants that contains it
Cross-Links

Details

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Internal ID c2e55799-c8ae-4250-b827-1e3f124eb3d4
Taxonomy Alkaloids and derivatives > Harmala alkaloids
IUPAC Name 1-[(1S)-1-hydroxy-2-phenylethyl]-9H-pyrido[3,4-b]indol-6-ol
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C19H16N2O2/c22-13-6-7-16-15(11-13)14-8-9-20-19(18(14)21-16)17(23)10-12-4-2-1-3-5-12/h1-9,11,17,21-23H,10H2/t17-/m0/s1
InChI Key NSUYQRXJCOMIRZ-KRWDZBQOSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C19H16N2O2
Molecular Weight 304.30 g/mol
Exact Mass 304.121177757 g/mol
Topological Polar Surface Area (TPSA) 69.10 Ų
XlogP 3.10

Synonyms

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CHEMBL442853
1-[(1S)-1-hydroxy-2-phenylethyl]-9H-pyrido[3,4-b]indol-6-ol
1-(1-Hydroxy-2-phenyl-ethyl)-9H-beta-carbolin-6-ol
1-(1-hydroxy-2-phenylethyl)-9H-beta-carbolin-6-ol
9H-pyrido[3,4-b]indole-1-methanol, 6-hydroxy-alpha-(phenylmethyl)-, (alphaS)-
InChI=1/C19H16N2O2/c22-13-6-7-16-15(11-13)14-8-9-20-19(18(14)21-16)17(23)10-12-4-2-1-3-5-12/h1-9,11,17,21-23H,10H2/t17-/m0/s

2D Structure

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2D Structure of Eudistomin W

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
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 98.15% 85.14%
CHEMBL2288 Q13526 Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 97.52% 91.71%
CHEMBL2581 P07339 Cathepsin D 97.22% 98.95%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 97.14% 91.11%
CHEMBL2035 P08912 Muscarinic acetylcholine receptor M5 96.98% 94.62%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 95.04% 96.09%
CHEMBL1951 P21397 Monoamine oxidase A 94.63% 91.49%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 92.03% 94.45%
CHEMBL1781 P11387 DNA topoisomerase I 89.59% 97.00%
CHEMBL3060 Q9Y345 Glycine transporter 2 89.58% 99.17%
CHEMBL2535 P11166 Glucose transporter 88.10% 98.75%
CHEMBL2095172 P14867 GABA-A receptor; alpha-1/beta-2/gamma-2 87.48% 92.67%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 87.13% 99.15%
CHEMBL2292 Q13627 Dual-specificity tyrosine-phosphorylation regulated kinase 1A 85.92% 93.24%
CHEMBL1255126 O15151 Protein Mdm4 85.46% 90.20%
CHEMBL3902 P09211 Glutathione S-transferase Pi 85.08% 93.81%
CHEMBL1952 P04818 Thymidylate synthase 85.04% 93.53%
CHEMBL1806 P11388 DNA topoisomerase II alpha 82.29% 89.00%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 82.09% 95.56%
CHEMBL1821 P08173 Muscarinic acetylcholine receptor M4 81.24% 94.08%

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 5323580
LOTUS LTS0081388
wikiData Q105185258