(1R)-1-[(3S,4aR,6aS,10aS,10bR)-3,4a,7,7,10a-pentamethyl-2,5,6,6a,8,9,10,10b-octahydro-1H-benzo[f]chromen-3-yl]ethane-1,2-diol
| Internal ID | 466ef1be-6fb5-47e4-8ce1-6bf15956e7e2 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | (1R)-1-[(3S,4aR,6aS,10aS,10bR)-3,4a,7,7,10a-pentamethyl-2,5,6,6a,8,9,10,10b-octahydro-1H-benzo[f]chromen-3-yl]ethane-1,2-diol |
| SMILES (Canonical) | CC1(CCCC2(C1CCC3(C2CCC(O3)(C)C(CO)O)C)C)C |
| SMILES (Isomeric) | C[C@]12CCCC([C@@H]1CC[C@@]3([C@@H]2CC[C@@](O3)(C)[C@@H](CO)O)C)(C)C |
| InChI | InChI=1S/C20H36O3/c1-17(2)9-6-10-18(3)14(17)7-11-19(4)15(18)8-12-20(5,23-19)16(22)13-21/h14-16,21-22H,6-13H2,1-5H3/t14-,15+,16+,18-,19+,20-/m0/s1 |
| InChI Key | KYTFZACHEUSLEA-ANOHPKFUSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H36O3 |
| Molecular Weight | 324.50 g/mol |
| Exact Mass | 324.26644501 g/mol |
| Topological Polar Surface Area (TPSA) | 49.70 Ų |
| XlogP | 4.00 |
| There are no found synonyms. |
![2D Structure of (1R)-1-[(3S,4aR,6aS,10aS,10bR)-3,4a,7,7,10a-pentamethyl-2,5,6,6a,8,9,10,10b-octahydro-1H-benzo[f]chromen-3-yl]ethane-1,2-diol](https://plantaedb.com/storage/docs/compounds/2023/11/e45d2c20-85d3-11ee-856e-977813909757.jpg "2D Structure of (1R)-1-[(3S,4aR,6aS,10aS,10bR)-3,4a,7,7,10a-pentamethyl-2,5,6,6a,8,9,10,10b-octahydro-1H-benzo[f]chromen-3-yl]ethane-1,2-diol")
| 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 | 98.27% | 97.25% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 94.85% | 83.82% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.91% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.24% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.90% | 97.09% |
| CHEMBL233 | P35372 | Mu opioid receptor | 89.47% | 97.93% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.66% | 98.95% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 87.67% | 96.61% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 87.01% | 98.10% |
| CHEMBL4370 | P16662 | UDP-glucuronosyltransferase 2B7 | 84.63% | 100.00% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 84.34% | 95.50% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 84.17% | 96.38% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.30% | 100.00% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 82.15% | 93.04% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.58% | 95.89% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 81.38% | 82.69% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 81.27% | 100.00% |
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.
| Grindelia tarapacana |
| PubChem | 163190402 |
| LOTUS | LTS0222667 |
| wikiData | Q105147933 |