Gibberellin A66
| Internal ID | 7e879c5f-e459-4090-a49a-03a8af4e798a |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > C20-gibberellins > C20-gibberellin 20-carboxylic acids |
| IUPAC Name | (1R,2S,3R,4R,8R,9R,12R,14R)-14-hydroxy-4-methyl-13-methylidenetetracyclo[10.2.1.01,9.03,8]pentadecane-2,4,8-tricarboxylic acid |
| SMILES (Canonical) | CC1(CCCC2(C1C(C34C2CCC(C3)C(=C)C4O)C(=O)O)C(=O)O)C(=O)O |
| SMILES (Isomeric) | C[C@]1(CCC[C@@]2([C@@H]1[C@@H]([C@]34[C@H]2CC[C@H](C3)C(=C)[C@H]4O)C(=O)O)C(=O)O)C(=O)O |
| InChI | InChI=1S/C20H26O7/c1-9-10-4-5-11-19(17(26)27)7-3-6-18(2,16(24)25)13(19)12(15(22)23)20(11,8-10)14(9)21/h10-14,21H,1,3-8H2,2H3,(H,22,23)(H,24,25)(H,26,27)/t10-,11+,12-,13-,14-,18-,19-,20-/m1/s1 |
| InChI Key | GYALTOSSVLCVLA-BPKUSKMISA-N |
| Popularity | 4 references in papers |
| Molecular Formula | C20H26O7 |
| Molecular Weight | 378.40 g/mol |
| Exact Mass | 378.16785316 g/mol |
| Topological Polar Surface Area (TPSA) | 132.00 Ų |
| XlogP | 1.10 |
| GA66 |
| DTXSID201122681 |
| 70980-48-2 |
| Gibbane-1,4a,10-tricarboxylic acid, 9-hydroxy-1-methyl-8-methylene-, (1alpha,4aalpha,4bbeta,9beta,10beta)- |
| 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 | 93.59% | 96.38% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.84% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.14% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 85.18% | 97.25% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.97% | 95.56% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 84.92% | 95.50% |
| CHEMBL4246 | P42680 | Tyrosine-protein kinase TEC | 84.92% | 82.05% |
| CHEMBL2581 | P07339 | Cathepsin D | 83.96% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.30% | 94.45% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 81.25% | 100.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.48% | 97.09% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 80.39% | 90.17% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 80.39% | 100.00% |
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.
| Helianthus annuus |
| PubChem | 156908042 |
| LOTUS | LTS0175852 |
| wikiData | Q105023490 |