(5'R,6R,7S,9S,13R)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-diene-6,2'-oxane]-16-one
| Internal ID | e0c30b95-1fa9-4dd9-989c-a25095c5117d |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | (5'R,6R,7S,9S,13R)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-diene-6,2'-oxane]-16-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C27H38O3/c1-16-7-12-27(29-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(28)8-10-25(18,3)21(20)9-11-26(22,24)4/h8,10,13,16-17,20-24H,5-7,9,11-12,14-15H2,1-4H3/t16-,17+,20?,21?,22?,23?,24?,25+,26+,27-/m1/s1 |
| InChI Key | QEGQIJLALWETNE-DMGLISFHSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C27H38O3 |
| Molecular Weight | 410.60 g/mol |
| Exact Mass | 410.28209507 g/mol |
| Topological Polar Surface Area (TPSA) | 35.50 Ų |
| XlogP | 5.80 |
| There are no found synonyms. |
![2D Structure of (5'R,6R,7S,9S,13R)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-diene-6,2'-oxane]-16-one](https://plantaedb.com/storage/docs/compounds/2023/11/f71dab20-855b-11ee-9b5a-f33bf84b52ef.jpg "2D Structure of (5'R,6R,7S,9S,13R)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-diene-6,2'-oxane]-16-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 |
|---|---|---|---|---|
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 96.97% | 100.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.16% | 96.09% |
| CHEMBL1871 | P10275 | Androgen Receptor | 92.42% | 96.43% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.21% | 97.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.21% | 91.11% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 89.62% | 93.40% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.02% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.02% | 95.56% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 88.73% | 97.25% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 87.61% | 95.93% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 87.42% | 96.61% |
| CHEMBL332 | P03956 | Matrix metalloproteinase-1 | 87.32% | 94.50% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 85.93% | 82.69% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 84.44% | 94.80% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 83.13% | 89.05% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 83.05% | 96.77% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 81.40% | 93.04% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 81.08% | 92.50% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.55% | 95.89% |
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 | 163047762 |
| LOTUS | LTS0184003 |
| wikiData | Q105219205 |