(1R,2R,5S,8S,9S,10S,11R,14R)-5,14-dihydroxy-11-methyl-6-methylidene-12-oxo-13-oxapentacyclo[9.3.3.15,8.01,10.02,8]octadecane-9-carboxylic acid
| Internal ID | 3bffbe68-cf75-44b6-a4d5-43534be3ba75 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > C19-gibberellins > C19-gibberellin 6-carboxylic acids |
| IUPAC Name | (1R,2R,5S,8S,9S,10S,11R,14R)-5,14-dihydroxy-11-methyl-6-methylidene-12-oxo-13-oxapentacyclo[9.3.3.15,8.01,10.02,8]octadecane-9-carboxylic acid |
| SMILES (Canonical) | CC12CCCC3(C1C(C45C3CCC(C4)(C(=C)C5)O)C(=O)O)C(OC2=O)O |
| SMILES (Isomeric) | C[C@@]12CCC[C@@]3([C@@H]1[C@@H]([C@]45[C@H]3CC[C@](C4)(C(=C)C5)O)C(=O)O)[C@@H](OC2=O)O |
| InChI | InChI=1S/C20H26O6/c1-10-8-18-9-19(10,25)7-4-11(18)20-6-3-5-17(2,15(23)26-16(20)24)13(20)12(18)14(21)22/h11-13,16,24-25H,1,3-9H2,2H3,(H,21,22)/t11-,12-,13-,16-,17-,18+,19+,20-/m1/s1 |
| InChI Key | GFEIVLLXVCBXOQ-ORPYNVARSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H26O6 |
| Molecular Weight | 362.40 g/mol |
| Exact Mass | 362.17293854 g/mol |
| Topological Polar Surface Area (TPSA) | 104.00 Ų |
| XlogP | 1.10 |
| There are no found synonyms. |
![2D Structure of (1R,2R,5S,8S,9S,10S,11R,14R)-5,14-dihydroxy-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/2023/11/24b907b0-854b-11ee-ac50-8d6a6e8939ae.jpg "2D Structure of (1R,2R,5S,8S,9S,10S,11R,14R)-5,14-dihydroxy-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.31% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.98% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.18% | 98.95% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 88.95% | 96.38% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 88.56% | 83.82% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.79% | 95.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.10% | 99.23% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 85.64% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 84.66% | 97.25% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.16% | 97.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.58% | 89.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.76% | 100.00% |
| CHEMBL5408 | Q9UHD2 | Serine/threonine-protein kinase TBK1 | 82.25% | 90.48% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 81.86% | 93.04% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.36% | 95.89% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 80.17% | 93.03% |
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.
| Eriobotrya japonica |
| PubChem | 162999418 |
| LOTUS | LTS0137520 |
| wikiData | Q105007496 |