5-[6-hydroxy-2-(hydroxymethyl)-6,8-dimethyl-7,8-dihydro-5H-naphthalen-1-yl]penta-2,4-dienoic acid
| Internal ID | aeaa1f06-13e4-4578-87a0-53c78b8a22dc |
| Taxonomy | Benzenoids > Tetralins |
| IUPAC Name | 5-[6-hydroxy-2-(hydroxymethyl)-6,8-dimethyl-7,8-dihydro-5H-naphthalen-1-yl]penta-2,4-dienoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C18H22O4/c1-12-9-18(2,22)10-13-7-8-14(11-19)15(17(12)13)5-3-4-6-16(20)21/h3-8,12,19,22H,9-11H2,1-2H3,(H,20,21) |
| InChI Key | YCMUDCYIDCEIAJ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C18H22O4 |
| Molecular Weight | 302.40 g/mol |
| Exact Mass | 302.15180918 g/mol |
| Topological Polar Surface Area (TPSA) | 77.80 Ų |
| XlogP | 2.20 |
| There are no found synonyms. |
![2D Structure of 5-[6-hydroxy-2-(hydroxymethyl)-6,8-dimethyl-7,8-dihydro-5H-naphthalen-1-yl]penta-2,4-dienoic acid](https://plantaedb.com/storage/docs/compounds/2023/11/5-6-hydroxy-2-hydroxymethyl-68-dimethyl-78-dihydro-5h-naphthalen-1-ylpenta-24-dienoic-acid.jpg "2D Structure of 5-[6-hydroxy-2-(hydroxymethyl)-6,8-dimethyl-7,8-dihydro-5H-naphthalen-1-yl]penta-2,4-dienoic 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.22% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.21% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.63% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.47% | 86.33% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 86.06% | 90.24% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 83.47% | 96.00% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 83.35% | 91.71% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.99% | 97.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.02% | 89.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.95% | 100.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.92% | 90.00% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 80.00% | 89.62% |
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.
| There are no matching plants. |
| PubChem | 78160346 |
| LOTUS | LTS0080524 |
| wikiData | Q104201570 |