(1R,2S,3S,4S,5S,8R,9R,11S,12R)-8-formyl-5,11-dihydroxy-4-methyl-13-methylidenetetracyclo[10.2.1.01,9.03,8]pentadecane-2,4-dicarboxylic acid
| Internal ID | 9b6fbc81-f01d-4a35-9cb5-b4eebb0a56e5 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > C20-gibberellins > C20-gibberellin 6-carboxylic acids |
| IUPAC Name | (1R,2S,3S,4S,5S,8R,9R,11S,12R)-8-formyl-5,11-dihydroxy-4-methyl-13-methylidenetetracyclo[10.2.1.01,9.03,8]pentadecane-2,4-dicarboxylic acid |
| SMILES (Canonical) | CC1(C(CCC2(C1C(C34C2CC(C(C3)C(=C)C4)O)C(=O)O)C=O)O)C(=O)O |
| SMILES (Isomeric) | C[C@]1([C@H](CC[C@@]2([C@@H]1[C@@H]([C@]34[C@H]2C[C@@H]([C@H](C3)C(=C)C4)O)C(=O)O)C=O)O)C(=O)O |
| InChI | InChI=1S/C20H26O7/c1-9-6-20-7-10(9)11(22)5-12(20)19(8-21)4-3-13(23)18(2,17(26)27)15(19)14(20)16(24)25/h8,10-15,22-23H,1,3-7H2,2H3,(H,24,25)(H,26,27)/t10-,11+,12+,13+,14-,15-,18-,19-,20+/m1/s1 |
| InChI Key | YCNCBJJIJOFKHI-YIGLHTSQSA-N |
| Popularity | 0 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 | 0.20 |
| There are no found synonyms. |
![2D Structure of (1R,2S,3S,4S,5S,8R,9R,11S,12R)-8-formyl-5,11-dihydroxy-4-methyl-13-methylidenetetracyclo[10.2.1.01,9.03,8]pentadecane-2,4-dicarboxylic acid](https://plantaedb.com/storage/docs/compounds/2023/11/2af34640-8421-11ee-ab18-274db48f8f6b.jpg "2D Structure of (1R,2S,3S,4S,5S,8R,9R,11S,12R)-8-formyl-5,11-dihydroxy-4-methyl-13-methylidenetetracyclo[10.2.1.01,9.03,8]pentadecane-2,4-dicarboxylic 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 | 91.77% | 96.09% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 89.72% | 91.19% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.08% | 97.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.00% | 95.56% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 87.82% | 90.17% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 87.54% | 91.11% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.81% | 100.00% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 83.56% | 93.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.60% | 94.45% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 82.18% | 100.00% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 80.40% | 96.38% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 80.26% | 91.07% |
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.
| Styphnolobium japonicum |
| PubChem | 162947781 |
| LOTUS | LTS0022393 |
| wikiData | Q105005736 |