Hyrtioerectine C

Details

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Internal ID ce8a6b27-4a38-4eee-ac49-88b14cab750e
Taxonomy Organoheterocyclic compounds > Indoles and derivatives > Indolyl carboxylic acids and derivatives
IUPAC Name (2R)-2-hydroxy-3-(5-hydroxy-1H-indol-3-yl)propanoic acid
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C11H11NO4/c13-7-1-2-9-8(4-7)6(5-12-9)3-10(14)11(15)16/h1-2,4-5,10,12-14H,3H2,(H,15,16)/t10-/m1/s1
InChI Key UFDRBNQJYZJRJV-SNVBAGLBSA-N
Popularity 3 references in papers

Physical and Chemical Properties

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Molecular Formula C11H11NO4
Molecular Weight 221.21 g/mol
Exact Mass 221.06880783 g/mol
Topological Polar Surface Area (TPSA) 93.60 Ų
XlogP 1.40

Synonyms

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CHEMBL1162274
(2R)-2-Hydroxy-3-(5-hydroxy-1H-indol-3-yl)propanoic acid

2D Structure

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2D Structure of Hyrtioerectine 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
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 97.24% 91.11%
CHEMBL2581 P07339 Cathepsin D 94.48% 98.95%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 94.43% 94.45%
CHEMBL225 P28335 Serotonin 2c (5-HT2c) receptor 93.48% 89.62%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 92.88% 96.09%
CHEMBL4040 P28482 MAP kinase ERK2 92.66% 83.82%
CHEMBL213 P08588 Beta-1 adrenergic receptor 91.99% 95.56%
CHEMBL1255126 O15151 Protein Mdm4 91.27% 90.20%
CHEMBL2535 P11166 Glucose transporter 89.40% 98.75%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 86.99% 95.56%
CHEMBL2035 P08912 Muscarinic acetylcholine receptor M5 86.91% 94.62%
CHEMBL2288 Q13526 Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 86.83% 91.71%
CHEMBL3060 Q9Y345 Glycine transporter 2 84.65% 99.17%
CHEMBL1806 P11388 DNA topoisomerase II alpha 81.45% 89.00%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 81.24% 99.15%
CHEMBL3155 P34969 Serotonin 7 (5-HT7) receptor 81.20% 90.71%

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 11506813
LOTUS LTS0165365
wikiData Q105271473