trimethyl (1R,2S,3R,4R,8R,9R,12R)-4-methyl-13-methylidenetetracyclo[10.2.1.01,9.03,8]pentadec-5-ene-2,4,8-tricarboxylate
| Internal ID | 2553d230-0c90-42e6-970f-f53278205b52 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > C20-gibberellins |
| IUPAC Name | trimethyl (1R,2S,3R,4R,8R,9R,12R)-4-methyl-13-methylidenetetracyclo[10.2.1.01,9.03,8]pentadec-5-ene-2,4,8-tricarboxylate |
| SMILES (Canonical) | CC1(C=CCC2(C1C(C34C2CCC(C3)C(=C)C4)C(=O)OC)C(=O)OC)C(=O)OC |
| SMILES (Isomeric) | C[C@]1(C=CC[C@@]2([C@@H]1[C@@H]([C@]34[C@H]2CC[C@H](C3)C(=C)C4)C(=O)OC)C(=O)OC)C(=O)OC |
| InChI | InChI=1S/C23H30O6/c1-13-11-22-12-14(13)7-8-15(22)23(20(26)29-5)10-6-9-21(2,19(25)28-4)17(23)16(22)18(24)27-3/h6,9,14-17H,1,7-8,10-12H2,2-5H3/t14-,15-,16-,17-,21-,22+,23-/m1/s1 |
| InChI Key | VXSLCUXTQMYJDI-BUYPHVAFSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H30O6 |
| Molecular Weight | 402.50 g/mol |
| Exact Mass | 402.20423867 g/mol |
| Topological Polar Surface Area (TPSA) | 78.90 Ų |
| XlogP | 3.20 |
| There are no found synonyms. |
![2D Structure of trimethyl (1R,2S,3R,4R,8R,9R,12R)-4-methyl-13-methylidenetetracyclo[10.2.1.01,9.03,8]pentadec-5-ene-2,4,8-tricarboxylate](https://plantaedb.com/storage/docs/compounds/2023/11/4035c370-85ca-11ee-97f2-cdec38bd355e.jpg "2D Structure of trimethyl (1R,2S,3R,4R,8R,9R,12R)-4-methyl-13-methylidenetetracyclo[10.2.1.01,9.03,8]pentadec-5-ene-2,4,8-tricarboxylate")
| 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 |
|---|---|---|---|---|
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.51% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.37% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.34% | 91.11% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 90.73% | 92.88% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 87.81% | 91.19% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.21% | 95.89% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 83.66% | 97.14% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 83.20% | 96.38% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 82.73% | 95.50% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.68% | 97.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 82.57% | 97.25% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.97% | 92.62% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 81.25% | 85.14% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 81.21% | 83.82% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 81.19% | 91.24% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 81.09% | 96.77% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 80.17% | 93.03% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 80.09% | 94.33% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 80.04% | 97.50% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 80.04% | 90.17% |
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 | 162932508 |
| LOTUS | LTS0126781 |
| wikiData | Q105298731 |