(3S)-5-[(4aR,5R,8aR)-5-[(1S)-1-hydroxyethyl]-2,8a-dimethyl-4,4a,5,6,7,8-hexahydro-3H-naphthalen-1-yl]-3-methylpent-1-en-3-ol
| Internal ID | f54d7fd8-0167-4d96-b2db-a14ac8638771 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids |
| IUPAC Name | (3S)-5-[(4aR,5R,8aR)-5-[(1S)-1-hydroxyethyl]-2,8a-dimethyl-4,4a,5,6,7,8-hexahydro-3H-naphthalen-1-yl]-3-methylpent-1-en-3-ol |
| SMILES (Canonical) | CC1=C(C2(CCCC(C2CC1)C(C)O)C)CCC(C)(C=C)O |
| SMILES (Isomeric) | CC1=C([C@@]2(CCC[C@H]([C@H]2CC1)[C@H](C)O)C)CC[C@@](C)(C=C)O |
| InChI | InChI=1S/C20H34O2/c1-6-19(4,22)13-11-17-14(2)9-10-18-16(15(3)21)8-7-12-20(17,18)5/h6,15-16,18,21-22H,1,7-13H2,2-5H3/t15-,16-,18+,19+,20-/m0/s1 |
| InChI Key | CWQVSKCZTONNGB-UFHDJZAFSA-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 | 4.00 |
| There are no found synonyms. |
![2D Structure of (3S)-5-[(4aR,5R,8aR)-5-[(1S)-1-hydroxyethyl]-2,8a-dimethyl-4,4a,5,6,7,8-hexahydro-3H-naphthalen-1-yl]-3-methylpent-1-en-3-ol](https://plantaedb.com/storage/docs/compounds/2023/11/a0dd9ca0-868a-11ee-b40d-19354b5aba50.jpg "2D Structure of (3S)-5-[(4aR,5R,8aR)-5-[(1S)-1-hydroxyethyl]-2,8a-dimethyl-4,4a,5,6,7,8-hexahydro-3H-naphthalen-1-yl]-3-methylpent-1-en-3-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 | 99.24% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.89% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.05% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.12% | 98.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.95% | 97.09% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 90.52% | 97.79% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 89.71% | 85.14% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 87.60% | 100.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.30% | 95.89% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 87.07% | 94.75% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 86.08% | 95.58% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 84.83% | 99.18% |
| CHEMBL240 | Q12809 | HERG | 84.75% | 89.76% |
| CHEMBL206 | P03372 | Estrogen receptor alpha | 84.50% | 97.64% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.23% | 94.45% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.41% | 100.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 82.44% | 93.56% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 82.05% | 90.24% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 81.90% | 98.10% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 81.69% | 100.00% |
| CHEMBL233 | P35372 | Mu opioid receptor | 81.47% | 97.93% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 81.09% | 90.93% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 80.01% | 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.
| Araucaria columnaris |
| PubChem | 163103764 |
| LOTUS | LTS0082036 |
| wikiData | Q104971467 |