(1R,2S,3S,4S,5S,8R,9S,12R,13R)-5,13-dihydroxy-4,13-dimethyltetracyclo[10.2.1.01,9.03,8]pentadecane-2,4,8-tricarboxylic acid
| Internal ID | 620de626-7b8e-4398-b36c-61bc19910513 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > C20-gibberellins > C20-gibberellin 20-carboxylic acids |
| IUPAC Name | (1R,2S,3S,4S,5S,8R,9S,12R,13R)-5,13-dihydroxy-4,13-dimethyltetracyclo[10.2.1.01,9.03,8]pentadecane-2,4,8-tricarboxylic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C20H28O8/c1-17(28)8-19-7-9(17)3-4-10(19)20(16(26)27)6-5-11(21)18(2,15(24)25)13(20)12(19)14(22)23/h9-13,21,28H,3-8H2,1-2H3,(H,22,23)(H,24,25)(H,26,27)/t9-,10+,11+,12-,13-,17-,18-,19-,20-/m1/s1 |
| InChI Key | FQGLQBUUEMLUMB-HEERQUKMSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C20H28O8 |
| Molecular Weight | 396.40 g/mol |
| Exact Mass | 396.17841785 g/mol |
| Topological Polar Surface Area (TPSA) | 152.00 Ų |
| XlogP | 0.80 |
| There are no found synonyms. |
![2D Structure of (1R,2S,3S,4S,5S,8R,9S,12R,13R)-5,13-dihydroxy-4,13-dimethyltetracyclo[10.2.1.01,9.03,8]pentadecane-2,4,8-tricarboxylic acid](https://plantaedb.com/storage/docs/compounds/2023/11/844485c0-854d-11ee-9b6e-6def0923bce1.jpg "2D Structure of (1R,2S,3S,4S,5S,8R,9S,12R,13R)-5,13-dihydroxy-4,13-dimethyltetracyclo[10.2.1.01,9.03,8]pentadecane-2,4,8-tricarboxylic 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 | 96.42% | 96.09% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 93.96% | 96.38% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 91.70% | 96.95% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 90.26% | 90.17% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 85.66% | 97.25% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 84.66% | 91.19% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.49% | 97.09% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 81.90% | 93.00% |
| CHEMBL220 | P22303 | Acetylcholinesterase | 81.55% | 94.45% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 81.12% | 95.50% |
| CHEMBL2815 | P04629 | Nerve growth factor receptor Trk-A | 81.03% | 87.16% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 80.97% | 100.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 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.
| There are no matching plants. |
| PubChem | 162914047 |
| LOTUS | LTS0133494 |
| wikiData | Q104999634 |