3-(2-Hydroxy-6,10-dimethylundeca-5,9-dien-2-yl)-3a,6,6,9a-tetramethyl-1,2,3,4,5,5a,7,8,9,9b-decahydrocyclopenta[a]naphthalen-7-ol
| Internal ID | ced35745-c904-4b4e-ab4c-93c528cbd216 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | 3-(2-hydroxy-6,10-dimethylundeca-5,9-dien-2-yl)-3a,6,6,9a-tetramethyl-1,2,3,4,5,5a,7,8,9,9b-decahydrocyclopenta[a]naphthalen-7-ol |
| SMILES (Canonical) | CC(=CCCC(=CCCC(C)(C1CCC2C1(CCC3C2(CCC(C3(C)C)O)C)C)O)C)C |
| SMILES (Isomeric) | CC(=CCCC(=CCCC(C)(C1CCC2C1(CCC3C2(CCC(C3(C)C)O)C)C)O)C)C |
| InChI | InChI=1S/C30H52O2/c1-21(2)11-9-12-22(3)13-10-18-30(8,32)25-15-14-24-28(6)20-17-26(31)27(4,5)23(28)16-19-29(24,25)7/h11,13,23-26,31-32H,9-10,12,14-20H2,1-8H3 |
| InChI Key | KCSCTOANDBOIGV-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H52O2 |
| Molecular Weight | 444.70 g/mol |
| Exact Mass | 444.396730897 g/mol |
| Topological Polar Surface Area (TPSA) | 40.50 Ų |
| XlogP | 8.60 |
| There are no found synonyms. |
![2D Structure of 3-(2-Hydroxy-6,10-dimethylundeca-5,9-dien-2-yl)-3a,6,6,9a-tetramethyl-1,2,3,4,5,5a,7,8,9,9b-decahydrocyclopenta[a]naphthalen-7-ol](https://plantaedb.com/storage/docs/compounds/2023/11/0338b4d0-855d-11ee-89cb-49cb49883ab6.jpg "2D Structure of 3-(2-Hydroxy-6,10-dimethylundeca-5,9-dien-2-yl)-3a,6,6,9a-tetramethyl-1,2,3,4,5,5a,7,8,9,9b-decahydrocyclopenta[a]naphthalen-7-ol")
| 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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.86% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.44% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.46% | 97.09% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.73% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.67% | 98.95% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 87.48% | 98.10% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.46% | 95.89% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 85.21% | 90.17% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.63% | 100.00% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 84.31% | 82.69% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.52% | 94.45% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 83.43% | 91.03% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 83.39% | 94.75% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 83.05% | 100.00% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 82.96% | 95.50% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 82.83% | 100.00% |
| CHEMBL233 | P35372 | Mu opioid receptor | 82.24% | 97.93% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 81.89% | 92.08% |
| CHEMBL206 | P03372 | Estrogen receptor alpha | 81.33% | 97.64% |
| CHEMBL2815 | P04629 | Nerve growth factor receptor Trk-A | 80.88% | 87.16% |
| CHEMBL1907601 | P11802 | Cyclin-dependent kinase 4/cyclin D1 | 80.62% | 98.99% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 80.02% | 97.79% |
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.
| Arabidopsis thaliana |
| Aralia cordata |
| PubChem | 74413920 |
| LOTUS | LTS0215453 |
| wikiData | Q105138917 |