(1R,3S,4S,7R,11S,12R)-12-(2-hydroxypropan-2-yl)-1,4-dimethyl-8-methylidenetricyclo[9.3.0.03,7]tetradecan-4-ol
| Internal ID | 3e94c0c2-a872-41fc-a5c6-e4f8f85cc146 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Fusicoccane diterpenoids |
| IUPAC Name | (1R,3S,4S,7R,11S,12R)-12-(2-hydroxypropan-2-yl)-1,4-dimethyl-8-methylidenetricyclo[9.3.0.03,7]tetradecan-4-ol |
| SMILES (Canonical) | CC12CCC(C1CCC(=C)C3CCC(C3C2)(C)O)C(C)(C)O |
| SMILES (Isomeric) | C[C@]12CC[C@H]([C@@H]1CCC(=C)[C@@H]3CC[C@]([C@H]3C2)(C)O)C(C)(C)O |
| InChI | InChI=1S/C20H34O2/c1-13-6-7-16-15(18(2,3)21)9-10-19(16,4)12-17-14(13)8-11-20(17,5)22/h14-17,21-22H,1,6-12H2,2-5H3/t14-,15+,16-,17-,19+,20-/m0/s1 |
| InChI Key | XFBCJOYFVNNVKZ-GQNJLHKYSA-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 | 3.80 |
| There are no found synonyms. |
![2D Structure of (1R,3S,4S,7R,11S,12R)-12-(2-hydroxypropan-2-yl)-1,4-dimethyl-8-methylidenetricyclo[9.3.0.03,7]tetradecan-4-ol](https://plantaedb.com/storage/docs/compounds/2023/11/ec7d2900-8555-11ee-beaf-37a3dd41b2fb.jpg "2D Structure of (1R,3S,4S,7R,11S,12R)-12-(2-hydroxypropan-2-yl)-1,4-dimethyl-8-methylidenetricyclo[9.3.0.03,7]tetradecan-4-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 | 99.13% | 97.25% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 92.92% | 97.79% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 92.80% | 92.94% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.76% | 91.11% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 90.13% | 100.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.10% | 97.09% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.04% | 96.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.41% | 95.89% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 83.30% | 95.38% |
| CHEMBL1871 | P10275 | Androgen Receptor | 82.44% | 96.43% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.90% | 97.14% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 80.24% | 93.04% |
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.
| Barbilophozia lycopodioides |
| Neoorthocaulis floerkei |
| PubChem | 15818226 |
| LOTUS | LTS0063247 |
| wikiData | Q105326903 |