1-Hydroxy-6,7,9a-trimethyl-1,2,3,4,4a,9-hexahydrobenzo[7]annulene-4-carboxylic acid
| Internal ID | 34ce66b6-c579-485c-a248-fde62f6dc794 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Alcohols and polyols > Cyclic alcohols and derivatives |
| IUPAC Name | 1-hydroxy-6,7,9a-trimethyl-1,2,3,4,4a,9-hexahydrobenzo[7]annulene-4-carboxylic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C15H22O3/c1-9-6-7-15(3)12(8-10(9)2)11(14(17)18)4-5-13(15)16/h6,8,11-13,16H,4-5,7H2,1-3H3,(H,17,18) |
| InChI Key | JTFFSQBFSNENGR-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H22O3 |
| Molecular Weight | 250.33 g/mol |
| Exact Mass | 250.15689456 g/mol |
| Topological Polar Surface Area (TPSA) | 57.50 Ų |
| XlogP | 1.80 |
| There are no found synonyms. |
![2D Structure of 1-Hydroxy-6,7,9a-trimethyl-1,2,3,4,4a,9-hexahydrobenzo[7]annulene-4-carboxylic acid](https://plantaedb.com/storage/docs/compounds/2023/11/1-hydroxy-679a-trimethyl-12344a9-hexahydrobenzo7annulene-4-carboxylic-acid.jpg "2D Structure of 1-Hydroxy-6,7,9a-trimethyl-1,2,3,4,4a,9-hexahydrobenzo[7]annulene-4-carboxylic 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 | 95.42% | 96.09% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 90.00% | 90.17% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.57% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 87.14% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.39% | 98.95% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 84.26% | 94.62% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 82.41% | 93.56% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 81.53% | 97.25% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 80.81% | 100.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.66% | 100.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.17% | 99.23% |
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 | 57509478 |
| LOTUS | LTS0055542 |
| wikiData | Q104169852 |