(1R,3aR,6R,9E,12aS)-1-(2-hydroxypropan-2-yl)-3a,6,10-trimethyl-1,2,3,4,6,7,8,11,12,12a-decahydrocyclopenta[11]annulen-5-one
| Internal ID | a45cbaf9-12dd-49ab-88df-c84b7e172900 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Dolabellane and neodolabellane diterpenoids |
| IUPAC Name | (1R,3aR,6R,9E,12aS)-1-(2-hydroxypropan-2-yl)-3a,6,10-trimethyl-1,2,3,4,6,7,8,11,12,12a-decahydrocyclopenta[11]annulen-5-one |
| SMILES (Canonical) | CC1CCC=C(CCC2C(CCC2(CC1=O)C)C(C)(C)O)C |
| SMILES (Isomeric) | C[C@@H]1CC/C=C(/CC[C@H]2[C@@H](CC[C@@]2(CC1=O)C)C(C)(C)O)\C |
| InChI | InChI=1S/C20H34O2/c1-14-7-6-8-15(2)18(21)13-20(5)12-11-16(19(3,4)22)17(20)10-9-14/h7,15-17,22H,6,8-13H2,1-5H3/b14-7+/t15-,16-,17+,20-/m1/s1 |
| InChI Key | HPQXZKOVWDKSKC-NPAHFKTCSA-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) | 37.30 Ų |
| XlogP | 4.20 |
| There are no found synonyms. |
![2D Structure of (1R,3aR,6R,9E,12aS)-1-(2-hydroxypropan-2-yl)-3a,6,10-trimethyl-1,2,3,4,6,7,8,11,12,12a-decahydrocyclopenta[11]annulen-5-one](https://plantaedb.com/storage/docs/compounds/2023/11/aaf88c90-8507-11ee-8d08-7f7a1ef2f9fc.jpg "2D Structure of (1R,3aR,6R,9E,12aS)-1-(2-hydroxypropan-2-yl)-3a,6,10-trimethyl-1,2,3,4,6,7,8,11,12,12a-decahydrocyclopenta[11]annulen-5-one")
| 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 | 99.56% | 97.25% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.58% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.39% | 91.11% |
| CHEMBL1871 | P10275 | Androgen Receptor | 89.05% | 96.43% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.59% | 97.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 88.21% | 100.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.91% | 98.95% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 86.86% | 90.93% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 86.69% | 96.09% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 86.40% | 93.04% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.33% | 86.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.25% | 89.00% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 84.43% | 83.82% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 83.64% | 92.94% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.45% | 99.23% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 81.55% | 96.77% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 81.08% | 93.40% |
| CHEMBL4829 | O00763 | Acetyl-CoA carboxylase 2 | 80.70% | 98.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.00% | 95.89% |
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 |
| PubChem | 162939319 |
| LOTUS | LTS0106613 |
| wikiData | Q105031843 |