(1R,2S,3S,4S,5S,8R,9R,12R)-5-hydroxy-4-methyl-13-methylidene-11-oxotetracyclo[10.2.1.01,9.03,8]pentadecane-2,4,8-tricarboxylic acid
| Internal ID | 882ef234-f6aa-476e-b8af-d4e230dfc3be |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > C20-gibberellins > C20-gibberellin 20-carboxylic acids |
| IUPAC Name | (1R,2S,3S,4S,5S,8R,9R,12R)-5-hydroxy-4-methyl-13-methylidene-11-oxotetracyclo[10.2.1.01,9.03,8]pentadecane-2,4,8-tricarboxylic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C20H24O8/c1-8-6-19-7-9(8)10(21)5-11(19)20(17(27)28)4-3-12(22)18(2,16(25)26)14(20)13(19)15(23)24/h9,11-14,22H,1,3-7H2,2H3,(H,23,24)(H,25,26)(H,27,28)/t9-,11-,12+,13-,14-,18-,19+,20-/m1/s1 |
| InChI Key | CCHPJDFRIAMCRX-BCTFFSJRSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C20H24O8 |
| Molecular Weight | 392.40 g/mol |
| Exact Mass | 392.14711772 g/mol |
| Topological Polar Surface Area (TPSA) | 149.00 Ų |
| XlogP | 0.10 |
| There are no found synonyms. |
![2D Structure of (1R,2S,3S,4S,5S,8R,9R,12R)-5-hydroxy-4-methyl-13-methylidene-11-oxotetracyclo[10.2.1.01,9.03,8]pentadecane-2,4,8-tricarboxylic acid](https://plantaedb.com/storage/docs/compounds/2023/11/fbb31410-861a-11ee-a74d-51c06970b31a.jpg "2D Structure of (1R,2S,3S,4S,5S,8R,9R,12R)-5-hydroxy-4-methyl-13-methylidene-11-oxotetracyclo[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 |
|---|---|---|---|---|
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 93.48% | 90.17% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.07% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.83% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.53% | 95.56% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 87.43% | 91.19% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.96% | 97.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.75% | 100.00% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 83.28% | 97.05% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 82.99% | 97.25% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.87% | 99.23% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 81.51% | 93.04% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 81.44% | 93.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.71% | 94.45% |
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.
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| There are no matching plants. |
| PubChem | 162973739 |
| LOTUS | LTS0080801 |
| wikiData | Q104953333 |