7-Hydroxy-1-methyl-8-methylenegibba-1,3,4a(10a)-triene-10-carboxylic acid
| Internal ID | 2bb82c40-ba44-42d8-903c-5764f44a20af |
| Taxonomy | Benzenoids > Fluorenes |
| IUPAC Name | 12-hydroxy-4-methyl-13-methylidenetetracyclo[10.2.1.01,9.03,8]pentadeca-3,5,7-triene-2-carboxylic acid |
| SMILES (Canonical) | CC1=C2C(C34CC(=C)C(C3)(CCC4C2=CC=C1)O)C(=O)O |
| SMILES (Isomeric) | CC1=C2C(C34CC(=C)C(C3)(CCC4C2=CC=C1)O)C(=O)O |
| InChI | InChI=1S/C18H20O3/c1-10-4-3-5-12-13-6-7-18(21)9-17(13,8-11(18)2)15(14(10)12)16(19)20/h3-5,13,15,21H,2,6-9H2,1H3,(H,19,20) |
| InChI Key | IFYWTLQMNWNCFH-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C18H20O3 |
| Molecular Weight | 284.30 g/mol |
| Exact Mass | 284.14124450 g/mol |
| Topological Polar Surface Area (TPSA) | 57.50 Ų |
| XlogP | 2.00 |
| 7-Hydroxy-1-methyl-8-methylenegibba-1,3,4a(10a)-triene-10-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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 95.88% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.56% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.75% | 95.56% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 91.24% | 96.38% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 90.91% | 93.03% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 86.81% | 96.09% |
| CHEMBL5805 | Q9NR97 | Toll-like receptor 8 | 86.55% | 96.25% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.27% | 95.89% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 86.09% | 93.56% |
| CHEMBL5028 | O14672 | ADAM10 | 86.05% | 97.50% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.15% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.26% | 86.33% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.07% | 99.23% |
| CHEMBL4422 | O14842 | Free fatty acid receptor 1 | 81.51% | 93.33% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 81.40% | 97.25% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 80.73% | 93.04% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.26% | 97.09% |
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 | 625034 |
| LOTUS | LTS0081379 |
| wikiData | Q105112482 |