[(3S,4R,5S,6S,8E,10Z)-12-amino-6-hydroxy-3,5-dimethyl-12-oxododeca-8,10-dien-4-yl] (E)-3-phenylprop-2-enoate
| Internal ID | c9ce117e-dafa-4535-b689-40b49afaf08b |
| Taxonomy | Phenylpropanoids and polyketides > Cinnamic acids and derivatives > Cinnamic acid esters |
| IUPAC Name | [(3S,4R,5S,6S,8E,10Z)-12-amino-6-hydroxy-3,5-dimethyl-12-oxododeca-8,10-dien-4-yl] (E)-3-phenylprop-2-enoate |
| SMILES (Canonical) | CCC(C)C(C(C)C(CC=CC=CC(=O)N)O)OC(=O)C=CC1=CC=CC=C1 |
| SMILES (Isomeric) | CC[C@H](C)[C@H]([C@@H](C)[C@H](C/C=C/C=C\C(=O)N)O)OC(=O)/C=C/C1=CC=CC=C1 |
| InChI | InChI=1S/C23H31NO4/c1-4-17(2)23(18(3)20(25)13-9-6-10-14-21(24)26)28-22(27)16-15-19-11-7-5-8-12-19/h5-12,14-18,20,23,25H,4,13H2,1-3H3,(H2,24,26)/b9-6+,14-10-,16-15+/t17-,18-,20-,23+/m0/s1 |
| InChI Key | QAHZDGAHECEVRM-MMHJCZLKSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H31NO4 |
| Molecular Weight | 385.50 g/mol |
| Exact Mass | 385.22530847 g/mol |
| Topological Polar Surface Area (TPSA) | 89.60 Ų |
| XlogP | 4.40 |
| There are no found synonyms. |
![2D Structure of [(3S,4R,5S,6S,8E,10Z)-12-amino-6-hydroxy-3,5-dimethyl-12-oxododeca-8,10-dien-4-yl] (E)-3-phenylprop-2-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/95bdbcc0-876b-11ee-a0b9-5183d7c0a34a.jpg "2D Structure of [(3S,4R,5S,6S,8E,10Z)-12-amino-6-hydroxy-3,5-dimethyl-12-oxododeca-8,10-dien-4-yl] (E)-3-phenylprop-2-enoate")
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.52% | 96.09% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 96.36% | 96.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 95.96% | 86.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.81% | 98.95% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 94.54% | 90.17% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.91% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.90% | 95.56% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 87.61% | 96.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.14% | 99.17% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 86.38% | 95.50% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 86.02% | 100.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 83.35% | 94.73% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 82.24% | 93.56% |
| CHEMBL5028 | O14672 | ADAM10 | 80.03% | 97.50% |
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.
To see more specific details click the taxa you are interested in.
| Gmelina arborea |
| PubChem | 12137392 |
| LOTUS | LTS0132078 |
| wikiData | Q105182105 |