3-[(2E,6E,10E)-11-carboxy-3,7,15-trimethylhexadeca-2,6,10,14-tetraenyl]-4,5-dihydroxybenzoic acid
| Internal ID | 645d2e13-27c0-4024-824a-3307e4cf168e |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | 3-[(2E,6E,10E)-11-carboxy-3,7,15-trimethylhexadeca-2,6,10,14-tetraenyl]-4,5-dihydroxybenzoic acid |
| SMILES (Canonical) | CC(=CCCC(=CCCC(=CCCC(=CCC1=C(C(=CC(=C1)C(=O)O)O)O)C)C)C(=O)O)C |
| SMILES (Isomeric) | CC(=CCC/C(=C\CC/C(=C/CC/C(=C/CC1=C(C(=CC(=C1)C(=O)O)O)O)/C)/C)/C(=O)O)C |
| InChI | InChI=1S/C27H36O6/c1-18(2)8-5-12-21(26(30)31)13-7-11-19(3)9-6-10-20(4)14-15-22-16-23(27(32)33)17-24(28)25(22)29/h8-9,13-14,16-17,28-29H,5-7,10-12,15H2,1-4H3,(H,30,31)(H,32,33)/b19-9+,20-14+,21-13+ |
| InChI Key | IGCAVCQVYYCKOV-HBZGUYFNSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C27H36O6 |
| Molecular Weight | 456.60 g/mol |
| Exact Mass | 456.25118886 g/mol |
| Topological Polar Surface Area (TPSA) | 115.00 Ų |
| XlogP | 6.90 |
| There are no found synonyms. |
![2D Structure of 3-[(2E,6E,10E)-11-carboxy-3,7,15-trimethylhexadeca-2,6,10,14-tetraenyl]-4,5-dihydroxybenzoic acid](https://plantaedb.com/storage/docs/compounds/2023/11/3-2e6e10e-11-carboxy-3715-trimethylhexadeca-261014-tetraenyl-45-dihydroxybenzoic-acid.jpg "2D Structure of 3-[(2E,6E,10E)-11-carboxy-3,7,15-trimethylhexadeca-2,6,10,14-tetraenyl]-4,5-dihydroxybenzoic acid")
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.91% | 91.11% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 93.04% | 92.08% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 92.64% | 94.73% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.04% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.87% | 98.95% |
| CHEMBL3194 | P02766 | Transthyretin | 88.31% | 90.71% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 88.10% | 89.34% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.38% | 86.33% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.77% | 90.71% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.60% | 90.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.46% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 81.23% | 96.09% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.73% | 96.00% |
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.
| Piper heterophyllum |
| PubChem | 42646680 |
| LOTUS | LTS0027598 |
| wikiData | Q105112529 |