3-[8-(3,3-Dimethyloxiran-2-yl)-2-hydroxy-6-methyloct-5-en-2-yl]-3a,6,6,9a-tetramethyl-1,2,3,4,5,5a,7,8,9,9b-decahydrocyclopenta[a]naphthalen-7-ol
| Internal ID | 5beda336-0659-48c8-b0d7-a822d12f1111 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | 3-[8-(3,3-dimethyloxiran-2-yl)-2-hydroxy-6-methyloct-5-en-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(C)(C1CCC2C1(CCC3C2(CCC(C3(C)C)O)C)C)O)CCC4C(O4)(C)C |
| SMILES (Isomeric) | CC(=CCCC(C)(C1CCC2C1(CCC3C2(CCC(C3(C)C)O)C)C)O)CCC4C(O4)(C)C |
| InChI | InChI=1S/C30H52O3/c1-20(11-14-25-27(4,5)33-25)10-9-17-30(8,32)23-13-12-22-28(6)19-16-24(31)26(2,3)21(28)15-18-29(22,23)7/h10,21-25,31-32H,9,11-19H2,1-8H3 |
| InChI Key | LOSIFDMBAMXYSA-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H52O3 |
| Molecular Weight | 460.70 g/mol |
| Exact Mass | 460.39164552 g/mol |
| Topological Polar Surface Area (TPSA) | 53.00 Ų |
| XlogP | 7.30 |
| There are no found synonyms. |
![2D Structure of 3-[8-(3,3-Dimethyloxiran-2-yl)-2-hydroxy-6-methyloct-5-en-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/fb1eba20-85c1-11ee-a40f-dd91831863c8.jpg "2D Structure of 3-[8-(3,3-Dimethyloxiran-2-yl)-2-hydroxy-6-methyloct-5-en-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 | 96.31% | 97.25% |
| CHEMBL325 | Q13547 | Histone deacetylase 1 | 95.20% | 95.92% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 93.71% | 96.61% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.12% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.70% | 97.09% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 91.06% | 98.10% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.95% | 96.09% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 87.90% | 97.79% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.31% | 95.89% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 87.09% | 95.50% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 85.89% | 94.75% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 85.14% | 96.77% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.02% | 100.00% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 84.47% | 90.08% |
| CHEMBL236 | P41143 | Delta opioid receptor | 83.88% | 99.35% |
| CHEMBL2581 | P07339 | Cathepsin D | 83.79% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.65% | 89.00% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 82.52% | 100.00% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 82.33% | 89.05% |
| CHEMBL2815 | P04629 | Nerve growth factor receptor Trk-A | 81.16% | 87.16% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 80.56% | 100.00% |
| CHEMBL233 | P35372 | Mu opioid receptor | 80.47% | 97.93% |
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 |
| PubChem | 162977353 |
| LOTUS | LTS0172262 |
| wikiData | Q105154888 |