2-[(1S,2S,4aR,4bR,6aS,10S,10aR,10bR,12aR)-1,4a,4b,6a,9,10-hexamethyl-2-propan-2-yl-2,3,4,5,6,7,10,10a,10b,11,12,12a-dodecahydrochrysen-1-yl]ethanol
| Internal ID | 6dcb8f1a-da6f-432e-a685-4d466bd8d820 |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Hydroxysteroids > 16-hydroxysteroids |
| IUPAC Name | 2-[(1S,2S,4aR,4bR,6aS,10S,10aR,10bR,12aR)-1,4a,4b,6a,9,10-hexamethyl-2-propan-2-yl-2,3,4,5,6,7,10,10a,10b,11,12,12a-dodecahydrochrysen-1-yl]ethanol |
| SMILES (Canonical) | CC1C2C3CCC4C(C3(CCC2(CC=C1C)C)C)(CCC(C4(C)CCO)C(C)C)C |
| SMILES (Isomeric) | C[C@H]1[C@@H]2[C@H]3CC[C@H]4[C@]([C@@]3(CC[C@]2(CC=C1C)C)C)(CC[C@H]([C@]4(C)CCO)C(C)C)C |
| InChI | InChI=1S/C29H50O/c1-19(2)22-12-14-29(8)24(27(22,6)17-18-30)10-9-23-25-21(4)20(3)11-13-26(25,5)15-16-28(23,29)7/h11,19,21-25,30H,9-10,12-18H2,1-8H3/t21-,22+,23-,24-,25-,26-,27+,28-,29-/m1/s1 |
| InChI Key | BTWZXBLQTPSGAR-AWFZETLFSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C29H50O |
| Molecular Weight | 414.70 g/mol |
| Exact Mass | 414.386166214 g/mol |
| Topological Polar Surface Area (TPSA) | 20.20 Ų |
| XlogP | 8.80 |
| There are no found synonyms. |
![2D Structure of 2-[(1S,2S,4aR,4bR,6aS,10S,10aR,10bR,12aR)-1,4a,4b,6a,9,10-hexamethyl-2-propan-2-yl-2,3,4,5,6,7,10,10a,10b,11,12,12a-dodecahydrochrysen-1-yl]ethanol](https://plantaedb.com/storage/docs/compounds/2023/11/1387bf00-868c-11ee-b125-bf220afd3aad.jpg "2D Structure of 2-[(1S,2S,4aR,4bR,6aS,10S,10aR,10bR,12aR)-1,4a,4b,6a,9,10-hexamethyl-2-propan-2-yl-2,3,4,5,6,7,10,10a,10b,11,12,12a-dodecahydrochrysen-1-yl]ethanol")
| 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 | 96.59% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.14% | 96.09% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 93.84% | 96.61% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.73% | 98.95% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 88.29% | 97.79% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.22% | 97.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.62% | 94.45% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.66% | 100.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.77% | 95.89% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 85.67% | 94.75% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.38% | 95.56% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 82.66% | 89.05% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 82.47% | 96.38% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 81.63% | 91.11% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 80.68% | 100.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 80.57% | 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.
| Hoya australis |
| PubChem | 162913348 |
| LOTUS | LTS0079347 |
| wikiData | Q104945916 |