12-(6-Carboxy-3-hydroxyhept-5-en-2-yl)-1,4-dimethyltricyclo[9.3.0.03,7]tetradeca-8,12-diene-8-carboxylic acid
| Internal ID | 7bfde81a-d8a3-4f49-ba9b-65b5ce332540 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesterterpenoids > Ophiobolane sesterterpenoids |
| IUPAC Name | 12-(6-carboxy-3-hydroxyhept-5-en-2-yl)-1,4-dimethyltricyclo[9.3.0.03,7]tetradeca-8,12-diene-8-carboxylic acid |
| SMILES (Canonical) | CC1CCC2C1CC3(CC=C(C3CC=C2C(=O)O)C(C)C(CC=C(C)C(=O)O)O)C |
| SMILES (Isomeric) | CC1CCC2C1CC3(CC=C(C3CC=C2C(=O)O)C(C)C(CC=C(C)C(=O)O)O)C |
| InChI | InChI=1S/C25H36O5/c1-14-5-7-18-19(24(29)30)8-9-21-17(11-12-25(21,4)13-20(14)18)16(3)22(26)10-6-15(2)23(27)28/h6,8,11,14,16,18,20-22,26H,5,7,9-10,12-13H2,1-4H3,(H,27,28)(H,29,30) |
| InChI Key | IHZCQHAUROKVEX-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C25H36O5 |
| Molecular Weight | 416.50 g/mol |
| Exact Mass | 416.25627424 g/mol |
| Topological Polar Surface Area (TPSA) | 94.80 Ų |
| XlogP | 4.60 |
| There are no found synonyms. |
![2D Structure of 12-(6-Carboxy-3-hydroxyhept-5-en-2-yl)-1,4-dimethyltricyclo[9.3.0.03,7]tetradeca-8,12-diene-8-carboxylic acid](https://plantaedb.com/storage/docs/compounds/2023/11/afb0f0e0-882d-11ee-bebe-6183bedf060b.jpg "2D Structure of 12-(6-Carboxy-3-hydroxyhept-5-en-2-yl)-1,4-dimethyltricyclo[9.3.0.03,7]tetradeca-8,12-diene-8-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 | 98.57% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.56% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.30% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.12% | 98.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.12% | 97.09% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 88.54% | 100.00% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 88.45% | 94.80% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.51% | 94.45% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 85.87% | 93.56% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 85.52% | 91.19% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 85.50% | 93.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.33% | 95.56% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 83.54% | 98.75% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 80.96% | 95.89% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.23% | 89.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.22% | 100.00% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 73837333 |
| LOTUS | LTS0179160 |
| wikiData | Q105113324 |