2,6-Dihydroxy-N-(2-(4-methoxyphenyl)ethyl)benzamide

Details

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Internal ID fb3fbbf9-3ef6-4701-b69d-94e2a6ddc6f9
Taxonomy Benzenoids > Benzene and substituted derivatives > Benzoic acids and derivatives > Salicylic acid and derivatives > Salicylamides
IUPAC Name 2,6-dihydroxy-N-[2-(4-methoxyphenyl)ethyl]benzamide
SMILES (Canonical) COC1=CC=C(C=C1)CCNC(=O)C2=C(C=CC=C2O)O
SMILES (Isomeric) COC1=CC=C(C=C1)CCNC(=O)C2=C(C=CC=C2O)O
InChI InChI=1S/C16H17NO4/c1-21-12-7-5-11(6-8-12)9-10-17-16(20)15-13(18)3-2-4-14(15)19/h2-8,18-19H,9-10H2,1H3,(H,17,20)
InChI Key UNMMJIGEEXRNET-UHFFFAOYSA-N
Popularity 12 references in papers

Physical and Chemical Properties

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Molecular Formula C16H17NO4
Molecular Weight 287.31 g/mol
Exact Mass 287.11575802 g/mol
Topological Polar Surface Area (TPSA) 78.80 Ų
XlogP 3.50

Synonyms

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Riparin III
112356-54-4
2,6-Dihydroxy-N-(2-(4-methoxyphenyl)ethyl)benzamide
2,6-dihydroxy-N-[2-(4-methoxyphenyl)ethyl]benzamide
O-Methyl-N-(2,6-dihydroxybenzoyl)tyramine
DTXSID50150004
AKOS040747395
HY-121966
CS-0083773
2,6-dihydroxy-N-(4-methoxyphenethyl)benzamide
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of 2,6-Dihydroxy-N-(2-(4-methoxyphenyl)ethyl)benzamide

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
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 97.50% 96.09%
CHEMBL2581 P07339 Cathepsin D 95.48% 98.95%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 94.75% 91.11%
CHEMBL1293294 P51151 Ras-related protein Rab-9A 92.15% 87.67%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 90.80% 95.56%
CHEMBL2535 P11166 Glucose transporter 90.57% 98.75%
CHEMBL4208 P20618 Proteasome component C5 89.18% 90.00%
CHEMBL3437 Q16853 Amine oxidase, copper containing 89.17% 94.00%
CHEMBL3401 O75469 Pregnane X receptor 87.85% 94.73%
CHEMBL3060 Q9Y345 Glycine transporter 2 87.35% 99.17%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 86.72% 94.00%
CHEMBL3091268 Q92753 Nuclear receptor ROR-beta 85.60% 95.50%
CHEMBL1293277 O15118 Niemann-Pick C1 protein 85.11% 81.11%
CHEMBL5261 Q7L7X3 Serine/threonine-protein kinase TAO1 84.46% 89.33%
CHEMBL221 P23219 Cyclooxygenase-1 83.41% 90.17%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 82.11% 94.45%
CHEMBL5701 Q9H2K8 Serine/threonine-protein kinase TAO3 81.04% 96.67%

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.
Aniba riparia

Cross-Links

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PubChem 182537
LOTUS LTS0119842
wikiData Q83015899