3-[(5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl)methyl]-4-hydroxybenzoic acid
| Internal ID | 81f76bb5-8eb0-4abb-a75b-14e3407ac4f2 |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Benzoic acids and derivatives > Hydroxybenzoic acid derivatives |
| IUPAC Name | 3-[(5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl)methyl]-4-hydroxybenzoic acid |
| SMILES (Canonical) | CC1(CCCC2(C1CCC(=C)C2CC3=C(C=CC(=C3)C(=O)O)O)C)C |
| SMILES (Isomeric) | CC1(CCCC2(C1CCC(=C)C2CC3=C(C=CC(=C3)C(=O)O)O)C)C |
| InChI | InChI=1S/C22H30O3/c1-14-6-9-19-21(2,3)10-5-11-22(19,4)17(14)13-16-12-15(20(24)25)7-8-18(16)23/h7-8,12,17,19,23H,1,5-6,9-11,13H2,2-4H3,(H,24,25) |
| InChI Key | MMZGANPVGJSEDJ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H30O3 |
| Molecular Weight | 342.50 g/mol |
| Exact Mass | 342.21949481 g/mol |
| Topological Polar Surface Area (TPSA) | 57.50 Ų |
| XlogP | 5.90 |
| There are no found synonyms. |
![2D Structure of 3-[(5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl)methyl]-4-hydroxybenzoic acid](https://plantaedb.com/storage/docs/compounds/2023/11/d37dfd70-85d9-11ee-bae3-ff88089d4202.jpg "2D Structure of 3-[(5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl)methyl]-4-hydroxybenzoic 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 | 98.55% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 92.56% | 91.49% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 92.27% | 93.99% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.60% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.88% | 86.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.73% | 98.95% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 87.53% | 83.82% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 87.05% | 91.19% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 86.09% | 93.40% |
| CHEMBL3194 | P02766 | Transthyretin | 85.70% | 90.71% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.50% | 100.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.12% | 97.09% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.21% | 90.71% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 83.51% | 97.25% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 82.95% | 92.62% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 82.76% | 90.24% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.90% | 95.89% |
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.
| Pteris denticulata |
| PubChem | 162982959 |
| LOTUS | LTS0197545 |
| wikiData | Q105168209 |