2-(8-Formyl-6-hydroxy-3a,5a-dimethyl-2,3,4,5,6,7-hexahydrocyclohepta[g]inden-1-yl)propyl octadeca-9,12-dienoate
| Internal ID | 7236096c-7776-4930-a6ab-574cf0a6b6ef |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | 2-(8-formyl-6-hydroxy-3a,5a-dimethyl-2,3,4,5,6,7-hexahydrocyclohepta[g]inden-1-yl)propyl octadeca-9,12-dienoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C38H58O4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-35(41)42-29-30(2)32-23-24-37(3)25-26-38(4)33(36(32)37)22-21-31(28-39)27-34(38)40/h9-10,12-13,21-22,28,30,34,40H,5-8,11,14-20,23-27,29H2,1-4H3 |
| InChI Key | BZWGMCWZXRKRBF-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C38H58O4 |
| Molecular Weight | 578.90 g/mol |
| Exact Mass | 578.43351033 g/mol |
| Topological Polar Surface Area (TPSA) | 63.60 Ų |
| XlogP | 9.60 |
| There are no found synonyms. |
![2D Structure of 2-(8-Formyl-6-hydroxy-3a,5a-dimethyl-2,3,4,5,6,7-hexahydrocyclohepta[g]inden-1-yl)propyl octadeca-9,12-dienoate](https://plantaedb.com/storage/docs/compounds/2023/11/80784430-861b-11ee-bff3-c9128ce61a04.jpg "2D Structure of 2-(8-Formyl-6-hydroxy-3a,5a-dimethyl-2,3,4,5,6,7-hexahydrocyclohepta[g]inden-1-yl)propyl octadeca-9,12-dienoate")
| 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 | 99.31% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.67% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 97.09% | 99.17% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 96.44% | 90.17% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.75% | 91.11% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 93.82% | 92.86% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 91.09% | 100.00% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 90.79% | 92.08% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.13% | 95.56% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 89.96% | 100.00% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 89.89% | 98.03% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 89.56% | 93.56% |
| CHEMBL239 | Q07869 | Peroxisome proliferator-activated receptor alpha | 87.42% | 90.75% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.32% | 94.45% |
| CHEMBL3891 | P07384 | Calpain 1 | 86.79% | 93.04% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 85.22% | 91.24% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.38% | 86.33% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 84.36% | 96.47% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 84.06% | 95.50% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.85% | 97.09% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 83.45% | 96.90% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.35% | 100.00% |
| CHEMBL2001 | Q9H244 | Purinergic receptor P2Y12 | 83.31% | 96.00% |
| CHEMBL4005 | P42336 | PI3-kinase p110-alpha subunit | 82.84% | 97.47% |
| CHEMBL1914 | P06276 | Butyrylcholinesterase | 82.72% | 95.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.39% | 95.89% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 82.31% | 94.33% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.50% | 90.71% |
| CHEMBL3004 | P33527 | Multidrug resistance-associated protein 1 | 80.73% | 96.37% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 80.72% | 97.79% |
| CHEMBL5028 | O14672 | ADAM10 | 80.54% | 97.50% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.29% | 89.00% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 80.13% | 92.50% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 162953438 |
| LOTUS | LTS0022830 |
| wikiData | Q103817186 |