Cordysinin D

Details

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Internal ID dedf4d8a-2f04-4269-b0ee-42f0c1397ca2
Taxonomy Alkaloids and derivatives > Harmala alkaloids
IUPAC Name (1S)-1-(9H-pyrido[3,4-b]indol-1-yl)ethanol
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C13H12N2O/c1-8(16)12-13-10(6-7-14-12)9-4-2-3-5-11(9)15-13/h2-8,15-16H,1H3/t8-/m0/s1
InChI Key GKXWQOGSNJJLKJ-QMMMGPOBSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C13H12N2O
Molecular Weight 212.25 g/mol
Exact Mass 212.094963011 g/mol
Topological Polar Surface Area (TPSA) 48.90 Ų
XlogP 1.90

Synonyms

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CHEBI:69428
DTXSID501241907
(1S)-1-(9H-beta-carbolin-1-yl)ethanol
Q27137772
(alphaS)-alpha-Methyl-9H-pyrido[3,4-b]indole-1-methanol
110282-66-1

2D Structure

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2D Structure of Cordysinin D

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
CHEMBL1951 P21397 Monoamine oxidase A 95.23% 91.49%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 95.22% 96.09%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 94.04% 85.14%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 92.98% 91.11%
CHEMBL2581 P07339 Cathepsin D 91.86% 98.95%
CHEMBL1806 P11388 DNA topoisomerase II alpha 87.61% 89.00%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 86.30% 95.56%
CHEMBL2035 P08912 Muscarinic acetylcholine receptor M5 86.05% 94.62%
CHEMBL3310 Q96DB2 Histone deacetylase 11 85.91% 88.56%
CHEMBL213 P08588 Beta-1 adrenergic receptor 85.54% 95.56%
CHEMBL255 P29275 Adenosine A2b receptor 82.80% 98.59%
CHEMBL2424504 P29375 Lysine-specific demethylase 5A 81.97% 99.23%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 80.96% 94.45%
CHEMBL2107 P61073 C-X-C chemokine receptor type 4 80.95% 93.10%
CHEMBL1937 Q92769 Histone deacetylase 2 80.81% 94.75%
CHEMBL4208 P20618 Proteasome component C5 80.73% 90.00%
CHEMBL3524 P56524 Histone deacetylase 4 80.48% 92.97%

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 54671999
LOTUS LTS0095343
wikiData Q27137772