17-Hydroxy-11-methyl-6-methylidene-12-oxo-13-oxapentacyclo[9.3.3.15,8.01,10.02,8]octadecane-9-carboxylic acid
| Internal ID | 90d2b80d-1b1d-4013-89d5-4e7b79d7df68 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > C19-gibberellins > C19-gibberellin 6-carboxylic acids |
| IUPAC Name | 17-hydroxy-11-methyl-6-methylidene-12-oxo-13-oxapentacyclo[9.3.3.15,8.01,10.02,8]octadecane-9-carboxylic acid |
| SMILES (Canonical) | CC12C(CCC3(C1C(C45C3CCC(C4)C(=C)C5)C(=O)O)COC2=O)O |
| SMILES (Isomeric) | CC12C(CCC3(C1C(C45C3CCC(C4)C(=C)C5)C(=O)O)COC2=O)O |
| InChI | InChI=1S/C20H26O5/c1-10-7-20-8-11(10)3-4-12(20)19-6-5-13(21)18(2,17(24)25-9-19)15(19)14(20)16(22)23/h11-15,21H,1,3-9H2,2H3,(H,22,23) |
| InChI Key | QYXZQZMPZUEEML-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H26O5 |
| Molecular Weight | 346.40 g/mol |
| Exact Mass | 346.17802393 g/mol |
| Topological Polar Surface Area (TPSA) | 83.80 Ų |
| XlogP | 2.10 |
| There are no found synonyms. |
![2D Structure of 17-Hydroxy-11-methyl-6-methylidene-12-oxo-13-oxapentacyclo[9.3.3.15,8.01,10.02,8]octadecane-9-carboxylic acid](https://plantaedb.com/storage/docs/compounds/2023/11/3350c140-8448-11ee-aa09-e16b3fba6b31.jpg "2D Structure of 17-Hydroxy-11-methyl-6-methylidene-12-oxo-13-oxapentacyclo[9.3.3.15,8.01,10.02,8]octadecane-9-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 |
|---|---|---|---|---|
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 95.47% | 96.38% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 90.98% | 96.77% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 88.83% | 97.25% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.01% | 95.56% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 86.87% | 90.17% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 86.85% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.98% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 84.77% | 98.95% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.56% | 100.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.55% | 97.09% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 84.41% | 91.19% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 83.02% | 96.09% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 82.62% | 93.00% |
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.
| Alstonia angustifolia |
| Alstonia macrophylla |
| Alstonia scholaris |
| Aralia cordata |
| Vinca minor |
| PubChem | 14605567 |
| LOTUS | LTS0071822 |
| wikiData | Q105152358 |