1-(2-Hydroxypropan-2-yl)-3a,10-dimethyl-6-methylidene-1,2,3,4,5,7,8,11,12,12a-decahydrocyclopenta[11]annulen-5-ol
| Internal ID | e6487dbe-ac39-40db-a794-2f06f1f5a255 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Dolabellane and neodolabellane diterpenoids |
| IUPAC Name | 1-(2-hydroxypropan-2-yl)-3a,10-dimethyl-6-methylidene-1,2,3,4,5,7,8,11,12,12a-decahydrocyclopenta[11]annulen-5-ol |
| SMILES (Canonical) | CC1=CCCC(=C)C(CC2(CCC(C2CC1)C(C)(C)O)C)O |
| SMILES (Isomeric) | CC1=CCCC(=C)C(CC2(CCC(C2CC1)C(C)(C)O)C)O |
| 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/h7,16-18,21-22H,2,6,8-13H2,1,3-5H3 |
| InChI Key | WBINYYYURGZSDP-UHFFFAOYSA-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 1-(2-Hydroxypropan-2-yl)-3a,10-dimethyl-6-methylidene-1,2,3,4,5,7,8,11,12,12a-decahydrocyclopenta[11]annulen-5-ol](https://plantaedb.com/storage/docs/compounds/2023/11/ac5a8020-85a4-11ee-94b0-130a19b01eca.jpg "2D Structure of 1-(2-Hydroxypropan-2-yl)-3a,10-dimethyl-6-methylidene-1,2,3,4,5,7,8,11,12,12a-decahydrocyclopenta[11]annulen-5-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 | 99.18% | 97.25% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 89.87% | 100.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.44% | 91.11% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 88.86% | 92.94% |
| CHEMBL1871 | P10275 | Androgen Receptor | 88.78% | 96.43% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.70% | 97.09% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 86.87% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.22% | 95.56% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.60% | 95.89% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 84.44% | 90.93% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 81.73% | 96.61% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.61% | 89.00% |
| CHEMBL1977 | P11473 | Vitamin D receptor | 80.64% | 99.43% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.30% | 86.33% |
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 80.22% | 94.78% |
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.
| Aglaia odorata |
| PubChem | 75232108 |
| LOTUS | LTS0093887 |
| wikiData | Q105300781 |