(3R,4aR,8R,8aR)-8-bromo-3-[(2E,4E)-6-hydroxy-6-methylhepta-2,4-dien-2-yl]-8a-methyl-5-methylidene-2,3,4,6,7,8-hexahydro-1H-naphthalen-4a-ol
| Internal ID | da5b7022-defe-4035-82c5-991d04cf8584 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | (3R,4aR,8R,8aR)-8-bromo-3-[(2E,4E)-6-hydroxy-6-methylhepta-2,4-dien-2-yl]-8a-methyl-5-methylidene-2,3,4,6,7,8-hexahydro-1H-naphthalen-4a-ol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C20H31BrO2/c1-14(7-6-11-18(3,4)22)16-10-12-19(5)17(21)9-8-15(2)20(19,23)13-16/h6-7,11,16-17,22-23H,2,8-10,12-13H2,1,3-5H3/b11-6+,14-7+/t16-,17-,19+,20-/m1/s1 |
| InChI Key | INRSPVMHHRRRRE-ZWZJRORHSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C20H31BrO2 |
| Molecular Weight | 383.40 g/mol |
| Exact Mass | 382.15074 g/mol |
| Topological Polar Surface Area (TPSA) | 40.50 Ų |
| XlogP | 4.30 |
| 4a(2H)-Naphthalenol, 1-bromooctahydro-6- ((1E,3E)-5-hydroxy-1,5-dimethyl-1,3- hexadienyl)-8a-methyl-4-methylene-, (1R,4aR,6R,8aR)-rel-(-)- |
![2D Structure of (3R,4aR,8R,8aR)-8-bromo-3-[(2E,4E)-6-hydroxy-6-methylhepta-2,4-dien-2-yl]-8a-methyl-5-methylidene-2,3,4,6,7,8-hexahydro-1H-naphthalen-4a-ol](https://plantaedb.com/storage/docs/compounds/2023/11/3871f6d0-85f1-11ee-9350-4d81bc843aef.jpg "2D Structure of (3R,4aR,8R,8aR)-8-bromo-3-[(2E,4E)-6-hydroxy-6-methylhepta-2,4-dien-2-yl]-8a-methyl-5-methylidene-2,3,4,6,7,8-hexahydro-1H-naphthalen-4a-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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 98.08% | 97.25% |
| CHEMBL240 | Q12809 | HERG | 96.83% | 89.76% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.41% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.43% | 96.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 90.68% | 100.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 88.90% | 92.94% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.90% | 95.56% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.77% | 95.89% |
| CHEMBL1871 | P10275 | Androgen Receptor | 83.38% | 96.43% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 82.19% | 100.00% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 81.97% | 82.69% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 81.74% | 100.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 81.47% | 98.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.36% | 97.09% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 81.03% | 91.07% |
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 | 6442426 |
| LOTUS | LTS0134491 |
| wikiData | Q105116365 |