(1R,2S,4aR,5R,8aR)-5-(hydroxymethyl)-2,5,8a-trimethyl-1-[(2E)-3-methylpenta-2,4-dienyl]-3,4,4a,6,7,8-hexahydro-2H-naphthalen-1-ol
| Internal ID | d6e525df-a0aa-4986-bc89-84ac587c1418 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | (1R,2S,4aR,5R,8aR)-5-(hydroxymethyl)-2,5,8a-trimethyl-1-[(2E)-3-methylpenta-2,4-dienyl]-3,4,4a,6,7,8-hexahydro-2H-naphthalen-1-ol |
| SMILES (Canonical) | CC1CCC2C(CCCC2(C1(CC=C(C)C=C)O)C)(C)CO |
| SMILES (Isomeric) | C[C@H]1CC[C@@H]2[C@](CCC[C@]2([C@]1(C/C=C(\C)/C=C)O)C)(C)CO |
| InChI | InChI=1S/C20H34O2/c1-6-15(2)10-13-20(22)16(3)8-9-17-18(4,14-21)11-7-12-19(17,20)5/h6,10,16-17,21-22H,1,7-9,11-14H2,2-5H3/b15-10+/t16-,17+,18-,19+,20+/m0/s1 |
| InChI Key | BORUTNVEHDYDPQ-OYBPUTPISA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H34O2 |
| Molecular Weight | 306.50 g/mol |
| Exact Mass | 306.255880323 g/mol |
| Topological Polar Surface Area (TPSA) | 40.50 Ų |
| XlogP | 5.20 |
| There are no found synonyms. |
![2D Structure of (1R,2S,4aR,5R,8aR)-5-(hydroxymethyl)-2,5,8a-trimethyl-1-[(2E)-3-methylpenta-2,4-dienyl]-3,4,4a,6,7,8-hexahydro-2H-naphthalen-1-ol](https://plantaedb.com/storage/docs/compounds/2023/11/ab11ff10-85ee-11ee-b603-5724dbfde70e.jpg "2D Structure of (1R,2S,4aR,5R,8aR)-5-(hydroxymethyl)-2,5,8a-trimethyl-1-[(2E)-3-methylpenta-2,4-dienyl]-3,4,4a,6,7,8-hexahydro-2H-naphthalen-1-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 | 97.44% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.72% | 91.11% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 92.85% | 97.05% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 89.28% | 92.94% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 88.21% | 94.75% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 87.97% | 93.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.08% | 98.95% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 85.91% | 97.79% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.61% | 100.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.49% | 95.89% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 84.24% | 96.09% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 84.03% | 95.50% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 83.52% | 100.00% |
| CHEMBL3012 | Q13946 | Phosphodiesterase 7A | 83.19% | 99.29% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 81.94% | 90.08% |
| CHEMBL2534 | O15530 | 3-phosphoinositide dependent protein kinase-1 | 81.27% | 95.36% |
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.
| Bishovia boliviensis |
| PubChem | 163078294 |
| LOTUS | LTS0202171 |
| wikiData | Q104939424 |