(-)-Herdmanine L

Details

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Internal ID 4cd356e9-6fe9-4093-92b1-e115d435562d
Taxonomy Phenylpropanoids and polyketides > Depsides and depsidones
IUPAC Name (2S)-2-amino-3-[4-(4-hydroxybenzoyl)oxyphenyl]propanoic acid
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C16H15NO5/c17-14(15(19)20)9-10-1-7-13(8-2-10)22-16(21)11-3-5-12(18)6-4-11/h1-8,14,18H,9,17H2,(H,19,20)/t14-/m0/s1
InChI Key YVYXQUTZASIIIA-AWEZNQCLSA-N
Popularity 3 references in papers

Physical and Chemical Properties

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Molecular Formula C16H15NO5
Molecular Weight 301.29 g/mol
Exact Mass 301.09502258 g/mol
Topological Polar Surface Area (TPSA) 110.00 Ų
XlogP -0.80

Synonyms

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(2S)-2-amino-3-[4-(4-hydroxybenzoyl)oxyphenyl]propanoic acid
(-)-Herdmanine L
RefChem:67851
CHEMBL2208194

2D Structure

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2D Structure of (-)-Herdmanine L

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
CHEMBL3060 Q9Y345 Glycine transporter 2 95.58% 99.17%
CHEMBL2581 P07339 Cathepsin D 93.85% 98.95%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 93.82% 96.09%
CHEMBL1255126 O15151 Protein Mdm4 93.08% 90.20%
CHEMBL211 P08172 Muscarinic acetylcholine receptor M2 91.62% 94.97%
CHEMBL4657 Q6V1X1 Dipeptidyl peptidase VIII 90.68% 97.21%
CHEMBL1293249 Q13887 Kruppel-like factor 5 88.52% 86.33%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 87.37% 91.11%
CHEMBL4208 P20618 Proteasome component C5 86.82% 90.00%
CHEMBL3091268 Q92753 Nuclear receptor ROR-beta 86.19% 95.50%
CHEMBL4793 Q86TI2 Dipeptidyl peptidase IX 86.17% 96.95%
CHEMBL3437 Q16853 Amine oxidase, copper containing 85.97% 94.00%
CHEMBL209 P07477 Trypsin I 85.62% 90.00%
CHEMBL3976 Q9UHL4 Dipeptidyl peptidase II 85.57% 92.29%
CHEMBL3492 P49721 Proteasome Macropain subunit 85.42% 90.24%
CHEMBL2288 Q13526 Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 83.89% 91.71%
CHEMBL2514 O95665 Neurotensin receptor 2 82.73% 100.00%
CHEMBL5608 Q16288 NT-3 growth factor receptor 81.51% 95.89%
CHEMBL3891 P07384 Calpain 1 81.41% 93.04%
CHEMBL1907591 P30926 Neuronal acetylcholine receptor; alpha4/beta4 80.96% 100.00%
CHEMBL3232685 O00257 E3 SUMO-protein ligase CBX4 80.82% 93.00%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 80.17% 95.56%

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 71457892
LOTUS LTS0191054
wikiData Q105366314