8-Hydroxy-16,16-dimethoxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-10-one
| Internal ID | d35ec72f-ce6e-43ad-bef3-2b96d5a4b82a |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | 8-hydroxy-16,16-dimethoxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-10-one |
| SMILES (Canonical) | CC1CCC2(C(C3(C(O2)CC4C3(C(=O)CC5C4CCC6C5(CCC(C6)(OC)OC)C)C)O)C)OC1 |
| SMILES (Isomeric) | CC1CCC2(C(C3(C(O2)CC4C3(C(=O)CC5C4CCC6C5(CCC(C6)(OC)OC)C)C)O)C)OC1 |
| InChI | InChI=1S/C29H46O6/c1-17-9-10-28(34-16-17)18(2)29(31)24(35-28)14-22-20-8-7-19-15-27(32-5,33-6)12-11-25(19,3)21(20)13-23(30)26(22,29)4/h17-22,24,31H,7-16H2,1-6H3 |
| InChI Key | FJZMHTUXQXEAPK-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C29H46O6 |
| Molecular Weight | 490.70 g/mol |
| Exact Mass | 490.32943918 g/mol |
| Topological Polar Surface Area (TPSA) | 74.20 Ų |
| XlogP | 4.10 |
| There are no found synonyms. |
![2D Structure of 8-Hydroxy-16,16-dimethoxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-10-one](https://plantaedb.com/storage/docs/compounds/2023/11/a87caf80-8615-11ee-a054-974f675e7b69.jpg "2D Structure of 8-Hydroxy-16,16-dimethoxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-10-one")
| 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 | 96.72% | 97.25% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 95.82% | 82.69% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.76% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.07% | 97.09% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.65% | 96.09% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 89.97% | 91.49% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 87.03% | 91.19% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.76% | 100.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.81% | 99.23% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 85.08% | 95.38% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 84.92% | 94.75% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 84.18% | 93.04% |
| CHEMBL1907601 | P11802 | Cyclin-dependent kinase 4/cyclin D1 | 84.17% | 98.99% |
| CHEMBL2095226 | P05556 | Integrin alpha-5/beta-1 | 83.84% | 96.39% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.45% | 95.56% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 82.05% | 92.50% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 82.00% | 95.71% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 81.78% | 92.94% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 81.71% | 85.30% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.20% | 97.14% |
| CHEMBL301 | P24941 | Cyclin-dependent kinase 2 | 80.84% | 91.23% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.42% | 94.45% |
| CHEMBL1871 | P10275 | Androgen Receptor | 80.24% | 96.43% |
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.
| Asparagus cochinchinensis |
| PubChem | 73802025 |
| LOTUS | LTS0158722 |
| wikiData | Q104996434 |