Tuberin

Details

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Internal ID 00d5e31c-49bf-41b0-b75e-bbb5235557ae
Taxonomy Benzenoids > Phenol ethers > Anisoles
IUPAC Name N-[(E)-2-(4-methoxyphenyl)ethenyl]formamide
SMILES (Canonical) COC1=CC=C(C=C1)C=CNC=O
SMILES (Isomeric) COC1=CC=C(C=C1)/C=C/NC=O
InChI InChI=1S/C10H11NO2/c1-13-10-4-2-9(3-5-10)6-7-11-8-12/h2-8H,1H3,(H,11,12)/b7-6+
InChI Key SZCZSKMCTGEJKI-VOTSOKGWSA-N
Popularity 2,889 references in papers

Physical and Chemical Properties

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Molecular Formula C10H11NO2
Molecular Weight 177.20 g/mol
Exact Mass 177.078978594 g/mol
Topological Polar Surface Area (TPSA) 38.30 Ų
XlogP 1.90

Synonyms

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2501-37-3
Tuberin [MI]
Formamide, N-(p-methoxy-trans-styryl)-
53643-53-1
N-trans-(p-Methoxystyryl)formamide
N-Formyl trans-p-methoxystyrylamine
N-[(E)-2-(4-methoxyphenyl)ethenyl]formamide
NSC 7382
4JG2LF96VF
FORMAMIDE, N-(2-(4-METHOXYPHENYL)ETHENYL)-
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of Tuberin

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
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 94.85% 95.56%
CHEMBL4208 P20618 Proteasome component C5 92.83% 90.00%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 92.24% 96.00%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 87.09% 91.11%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 83.34% 96.09%
CHEMBL1293249 Q13887 Kruppel-like factor 5 82.84% 86.33%
CHEMBL4224 P49759 Dual specificty protein kinase CLK1 81.09% 85.30%
CHEMBL3401 O75469 Pregnane X receptor 80.50% 94.73%

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.
Haplophyllum tuberculatum

Cross-Links

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PubChem 5352006
LOTUS LTS0119920
wikiData Q27259753