(2Z,4E)-2-[(2S,4aR,8aS)-4a-methyl-8-methylidene-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]-6-methylhepta-2,4-diene-1,6-diol
| Internal ID | 13570310-312c-4980-9089-acb54573da82 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | (2Z,4E)-2-[(2S,4aR,8aS)-4a-methyl-8-methylidene-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]-6-methylhepta-2,4-diene-1,6-diol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C20H32O2/c1-15-7-5-11-20(4)12-9-16(13-18(15)20)17(14-21)8-6-10-19(2,3)22/h6,8,10,16,18,21-22H,1,5,7,9,11-14H2,2-4H3/b10-6+,17-8+/t16-,18-,20+/m0/s1 |
| InChI Key | CKUKHGMNIYJQQE-HTWJGUHBSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C20H32O2 |
| Molecular Weight | 304.50 g/mol |
| Exact Mass | 304.240230259 g/mol |
| Topological Polar Surface Area (TPSA) | 40.50 Ų |
| XlogP | 4.40 |
| There are no found synonyms. |
![2D Structure of (2Z,4E)-2-[(2S,4aR,8aS)-4a-methyl-8-methylidene-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]-6-methylhepta-2,4-diene-1,6-diol](https://plantaedb.com/storage/docs/compounds/2023/11/c25bc4a0-8737-11ee-b261-3fcd4e6db265.jpg "2D Structure of (2Z,4E)-2-[(2S,4aR,8aS)-4a-methyl-8-methylidene-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]-6-methylhepta-2,4-diene-1,6-diol")
| 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 | 99.61% | 97.25% |
| CHEMBL1977 | P11473 | Vitamin D receptor | 96.76% | 99.43% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 95.55% | 97.79% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.57% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.54% | 97.09% |
| CHEMBL206 | P03372 | Estrogen receptor alpha | 92.50% | 97.64% |
| CHEMBL233 | P35372 | Mu opioid receptor | 92.44% | 97.93% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.39% | 96.09% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 88.74% | 95.93% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 88.38% | 100.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 87.72% | 92.94% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.17% | 95.89% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 85.18% | 98.10% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 82.66% | 91.03% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 81.67% | 100.00% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 81.62% | 95.50% |
| CHEMBL2581 | P07339 | Cathepsin D | 81.05% | 98.95% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 80.68% | 100.00% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 80.59% | 82.69% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 80.35% | 91.07% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 80.11% | 95.56% |
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 | 162977557 |
| LOTUS | LTS0018087 |
| wikiData | Q104962833 |