(1R,2R,4aS,6R,8aR)-6-bromo-1-[(3R)-3-hydroxy-3-methylpent-4-enyl]-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol
| Internal ID | 22de6aea-f370-48e0-bb6d-12b2c1f65800 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | (1R,2R,4aS,6R,8aR)-6-bromo-1-[(3R)-3-hydroxy-3-methylpent-4-enyl]-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol |
| SMILES (Canonical) | CC1(C2CCC(C(C2(CCC1Br)C)CCC(C)(C=C)O)(C)O)C |
| SMILES (Isomeric) | C[C@@]12CC[C@H](C([C@H]1CC[C@@]([C@@H]2CC[C@](C)(C=C)O)(C)O)(C)C)Br |
| InChI | InChI=1S/C20H35BrO2/c1-7-18(4,22)11-8-15-19(5)12-10-16(21)17(2,3)14(19)9-13-20(15,6)23/h7,14-16,22-23H,1,8-13H2,2-6H3/t14-,15-,16-,18+,19-,20-/m1/s1 |
| InChI Key | ZOMPGFXUEOKUFB-BAIJGVNGSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H35BrO2 |
| Molecular Weight | 387.40 g/mol |
| Exact Mass | 386.18204 g/mol |
| Topological Polar Surface Area (TPSA) | 40.50 Ų |
| XlogP | 4.80 |
| There are no found synonyms. |
![2D Structure of (1R,2R,4aS,6R,8aR)-6-bromo-1-[(3R)-3-hydroxy-3-methylpent-4-enyl]-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol](https://plantaedb.com/storage/docs/compounds/2023/11/ffeb5180-876c-11ee-926f-7dda8e6e82f3.jpg "2D Structure of (1R,2R,4aS,6R,8aR)-6-bromo-1-[(3R)-3-hydroxy-3-methylpent-4-enyl]-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.85% | 97.25% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 90.88% | 94.75% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.92% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.78% | 91.11% |
| CHEMBL325 | Q13547 | Histone deacetylase 1 | 88.46% | 95.92% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 88.41% | 90.93% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.40% | 97.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.03% | 100.00% |
| CHEMBL1871 | P10275 | Androgen Receptor | 85.22% | 96.43% |
| CHEMBL2581 | P07339 | Cathepsin D | 84.48% | 98.95% |
| CHEMBL206 | P03372 | Estrogen receptor alpha | 82.69% | 97.64% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.30% | 95.89% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 82.23% | 96.47% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 81.36% | 93.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 80.91% | 92.94% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 162884597 |
| LOTUS | LTS0008404 |
| wikiData | Q105380577 |