(3R,4aS,6aS,8R,10aR,10bS)-3-ethenyl-3,4a,7,7,10a-pentamethyl-2,5,6,6a,8,9,10,10b-octahydro-1H-benzo[f]chromen-8-ol
| Internal ID | 48fed58e-071d-4b43-899b-71b0d0b4061f |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | (3R,4aS,6aS,8R,10aR,10bS)-3-ethenyl-3,4a,7,7,10a-pentamethyl-2,5,6,6a,8,9,10,10b-octahydro-1H-benzo[f]chromen-8-ol |
| SMILES (Canonical) | CC1(C2CCC3(C(C2(CCC1O)C)CCC(O3)(C)C=C)C)C |
| SMILES (Isomeric) | C[C@@]1(CC[C@H]2[C@@]3(CC[C@H](C([C@H]3CC[C@@]2(O1)C)(C)C)O)C)C=C |
| InChI | InChI=1S/C20H34O2/c1-7-18(4)11-8-15-19(5)12-10-16(21)17(2,3)14(19)9-13-20(15,6)22-18/h7,14-16,21H,1,8-13H2,2-6H3/t14-,15+,16-,18+,19-,20+/m1/s1 |
| InChI Key | JJZSRKRSWWPWCJ-LZHQGQFHSA-N |
| Popularity | 16 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 | 4.40 |
| There are no found synonyms. |
![2D Structure of (3R,4aS,6aS,8R,10aR,10bS)-3-ethenyl-3,4a,7,7,10a-pentamethyl-2,5,6,6a,8,9,10,10b-octahydro-1H-benzo[f]chromen-8-ol](https://plantaedb.com/storage/docs/compounds/2023/11/9d86e090-826e-11ee-b0af-31e1af257480.jpg "2D Structure of (3R,4aS,6aS,8R,10aR,10bS)-3-ethenyl-3,4a,7,7,10a-pentamethyl-2,5,6,6a,8,9,10,10b-octahydro-1H-benzo[f]chromen-8-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 |
|---|---|---|---|---|
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 91.12% | 83.82% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.83% | 91.11% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.64% | 100.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.45% | 97.09% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 83.70% | 98.10% |
| CHEMBL5600 | P27448 | Serine/threonine-protein kinase c-TAK1 | 82.46% | 88.81% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 81.90% | 90.24% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.78% | 95.89% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 81.77% | 96.09% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 81.68% | 95.58% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 81.29% | 92.94% |
| CHEMBL1907601 | P11802 | Cyclin-dependent kinase 4/cyclin D1 | 80.87% | 98.99% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 80.83% | 90.17% |
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.
| Casearia corymbosa |
| Cistus creticus |
| Excoecaria agallocha |
| Juniperus thurifera |
| Sideritis arborescens |
| Sideritis canariensis |
| Sideritis candicans |
| Sideritis lasiantha |
| Sideritis pungens |
| Stachys mucronata |
| PubChem | 13970287 |
| LOTUS | LTS0099115 |
| wikiData | Q104397546 |