Botryllamide C
| Internal ID | 0a1a2e9c-2aca-4a85-b690-0e9f53172dc1 |
| Taxonomy | Phenylpropanoids and polyketides > Cinnamic acids and derivatives > Hydroxycinnamic acids and derivatives > Coumaric acids and derivatives |
| IUPAC Name | (Z)-N-[(E)-2-(3-bromo-4-methoxyphenyl)ethenyl]-3-(4-hydroxyphenyl)-2-methoxyprop-2-enamide |
| SMILES (Canonical) | COC1=C(C=C(C=C1)C=CNC(=O)C(=CC2=CC=C(C=C2)O)OC)Br |
| SMILES (Isomeric) | COC1=C(C=C(C=C1)/C=C/NC(=O)/C(=C/C2=CC=C(C=C2)O)/OC)Br |
| InChI | InChI=1S/C19H18BrNO4/c1-24-17-8-5-14(11-16(17)20)9-10-21-19(23)18(25-2)12-13-3-6-15(22)7-4-13/h3-12,22H,1-2H3,(H,21,23)/b10-9+,18-12- |
| InChI Key | UCXFHNQSLPZQNU-IGZKKZBOSA-N |
| Popularity | 7 references in papers |
| Molecular Formula | C19H18BrNO4 |
| Molecular Weight | 404.30 g/mol |
| Exact Mass | 403.04192 g/mol |
| Topological Polar Surface Area (TPSA) | 67.80 Ų |
| XlogP | 4.10 |
| botryllamide d |
| Botryllamide C, 3 |
| CHEMBL458921 |
| SCHEMBL3777701 |
| SCHEMBL29378240 |
| US8470888, Botryllamide D |
| BDBM32620 |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
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 | 92.86% | 95.56% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 92.18% | 96.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.17% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.71% | 86.33% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 91.55% | 90.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 90.86% | 98.75% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.75% | 99.17% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 89.81% | 89.62% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 87.02% | 90.20% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.97% | 94.45% |
| CHEMBL3194 | P02766 | Transthyretin | 85.76% | 90.71% |
| CHEMBL4015 | P41597 | C-C chemokine receptor type 2 | 82.30% | 98.57% |
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.
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| There are no matching plants. |
| PubChem | 9978531 |
| LOTUS | LTS0023273 |
| wikiData | Q104403665 |