(2,6,12-Trimethyl-6-pentacyclo[11.2.1.01,10.02,7.012,14]hexadecanyl)methyl acetate
| Internal ID | 7f89477a-78d6-4758-bdf6-288f3c14ec2b |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Villanovane, atisane, trachylobane or helvifulvane diterpenoids |
| IUPAC Name | (2,6,12-trimethyl-6-pentacyclo[11.2.1.01,10.02,7.012,14]hexadecanyl)methyl acetate |
| SMILES (Canonical) | CC(=O)OCC1(CCCC2(C1CCC3C24CC5C(C4)C5(C3)C)C)C |
| SMILES (Isomeric) | CC(=O)OCC1(CCCC2(C1CCC3C24CC5C(C4)C5(C3)C)C)C |
| InChI | InChI=1S/C22H34O2/c1-14(23)24-13-19(2)8-5-9-21(4)18(19)7-6-15-10-20(3)16-11-22(15,21)12-17(16)20/h15-18H,5-13H2,1-4H3 |
| InChI Key | YGSPCCAAZJHJAH-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H34O2 |
| Molecular Weight | 330.50 g/mol |
| Exact Mass | 330.255880323 g/mol |
| Topological Polar Surface Area (TPSA) | 26.30 Ų |
| XlogP | 6.20 |
| There are no found synonyms. |
![2D Structure of (2,6,12-Trimethyl-6-pentacyclo[11.2.1.01,10.02,7.012,14]hexadecanyl)methyl acetate](https://plantaedb.com/storage/docs/compounds/2023/11/2612-trimethyl-6-pentacyclo1121011002701214hexadecanylmethyl-acetate.jpg "2D Structure of (2,6,12-Trimethyl-6-pentacyclo[11.2.1.01,10.02,7.012,14]hexadecanyl)methyl acetate")
| 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 | 98.99% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.38% | 96.09% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 95.17% | 82.69% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.86% | 91.11% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 90.33% | 96.38% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 89.64% | 91.19% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.04% | 97.09% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 86.51% | 94.00% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 84.28% | 95.71% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.95% | 100.00% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 83.79% | 94.33% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 83.34% | 95.50% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.19% | 92.62% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 81.13% | 92.94% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.83% | 95.89% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 80.68% | 92.50% |
| CHEMBL2581 | P07339 | Cathepsin D | 80.49% | 98.95% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 80.30% | 96.77% |
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.
| Helichrysum chionosphaerum |
| PubChem | 163009102 |
| LOTUS | LTS0075385 |
| wikiData | Q105348254 |