(2R,3S,4aS,6aR,10aR,10bS)-3-ethenyl-3,4a,7,7,10a-pentamethyl-2,5,6,6a,8,9,10,10b-octahydro-1H-benzo[f]chromen-2-ol
| Internal ID | 3da0a861-5bc8-426f-ba8a-ef85dfeacc79 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | (2R,3S,4aS,6aR,10aR,10bS)-3-ethenyl-3,4a,7,7,10a-pentamethyl-2,5,6,6a,8,9,10,10b-octahydro-1H-benzo[f]chromen-2-ol |
| SMILES (Canonical) | CC1(CCCC2(C1CCC3(C2CC(C(O3)(C)C=C)O)C)C)C |
| SMILES (Isomeric) | C[C@@]12CCCC([C@H]1CC[C@]3([C@H]2C[C@H]([C@](O3)(C)C=C)O)C)(C)C |
| InChI | InChI=1S/C20H34O2/c1-7-19(5)16(21)13-15-18(4)11-8-10-17(2,3)14(18)9-12-20(15,6)22-19/h7,14-16,21H,1,8-13H2,2-6H3/t14-,15+,16-,18-,19+,20+/m1/s1 |
| InChI Key | MIZHVKCAJCIZAG-ZZLHTRIOSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H34O2 |
| Molecular Weight | 306.50 g/mol |
| Exact Mass | 306.255880323 g/mol |
| Topological Polar Surface Area (TPSA) | 29.50 Ų |
| XlogP | 5.00 |
| There are no found synonyms. |
![2D Structure of (2R,3S,4aS,6aR,10aR,10bS)-3-ethenyl-3,4a,7,7,10a-pentamethyl-2,5,6,6a,8,9,10,10b-octahydro-1H-benzo[f]chromen-2-ol](https://plantaedb.com/storage/docs/compounds/2023/11/6544a050-864d-11ee-9d74-ed34047fa7fd.jpg "2D Structure of (2R,3S,4aS,6aR,10aR,10bS)-3-ethenyl-3,4a,7,7,10a-pentamethyl-2,5,6,6a,8,9,10,10b-octahydro-1H-benzo[f]chromen-2-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.74% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 93.52% | 97.25% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 88.83% | 98.10% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 88.20% | 95.58% |
| CHEMBL233 | P35372 | Mu opioid receptor | 88.06% | 97.93% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.79% | 97.09% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 87.77% | 92.94% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.89% | 100.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.57% | 95.89% |
| CHEMBL4370 | P16662 | UDP-glucuronosyltransferase 2B7 | 83.46% | 100.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.22% | 89.00% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 81.84% | 82.69% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 81.81% | 95.50% |
| CHEMBL1977 | P11473 | Vitamin D receptor | 80.48% | 99.43% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 80.17% | 95.38% |
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.
| Sideritis pungens |
| PubChem | 14240411 |
| LOTUS | LTS0081525 |
| wikiData | Q105165300 |