NCGC00384837-01_C19H32O2_14-(Hydroxymethyl)-5,9-dimethyltetracyclo[11.2.1.0~1,10~.0~4,9~]hexadecan-5-ol
| Internal ID | 77d30267-7135-4cb4-8b33-b49b02cb663c |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Kaurane diterpenoids |
| IUPAC Name | 14-(hydroxymethyl)-5,9-dimethyltetracyclo[11.2.1.01,10.04,9]hexadecan-5-ol |
| SMILES (Canonical) | CC12CCCC(C1CCC34C2CCC(C3)C(C4)CO)(C)O |
| SMILES (Isomeric) | CC12CCCC(C1CCC34C2CCC(C3)C(C4)CO)(C)O |
| InChI | InChI=1S/C19H32O2/c1-17-7-3-8-18(2,21)15(17)6-9-19-10-13(4-5-16(17)19)14(11-19)12-20/h13-16,20-21H,3-12H2,1-2H3 |
| InChI Key | LZAZGDZVFQSCFO-UHFFFAOYSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C19H32O2 |
| Molecular Weight | 292.50 g/mol |
| Exact Mass | 292.240230259 g/mol |
| Topological Polar Surface Area (TPSA) | 40.50 Ų |
| XlogP | 4.10 |
| NCGC00384837-01_C19H32O2_14-(Hydroxymethyl)-5,9-dimethyltetracyclo[11.2.1.0~1,10~.0~4,9~]hexadecan-5-ol |
![2D Structure of NCGC00384837-01_C19H32O2_14-(Hydroxymethyl)-5,9-dimethyltetracyclo[11.2.1.0~1,10~.0~4,9~]hexadecan-5-ol](https://plantaedb.com/storage/docs/compounds/2023/11/5abcdee0-860a-11ee-ab38-ad5e1c5fa52e.jpg "2D Structure of NCGC00384837-01_C19H32O2_14-(Hydroxymethyl)-5,9-dimethyltetracyclo[11.2.1.0~1,10~.0~4,9~]hexadecan-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 | 98.05% | 97.25% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.89% | 97.09% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.44% | 96.09% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 88.39% | 96.61% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 88.23% | 94.75% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 88.21% | 95.93% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 87.07% | 91.11% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 87.04% | 95.50% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 86.56% | 82.69% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.50% | 100.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 83.09% | 92.94% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 82.40% | 98.10% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 82.20% | 95.83% |
| CHEMBL4482 | O96013 | Serine/threonine-protein kinase PAK 4 | 81.84% | 95.42% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 81.68% | 95.38% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.62% | 92.62% |
| CHEMBL5888 | Q99558 | Mitogen-activated protein kinase kinase kinase 14 | 81.21% | 100.00% |
| CHEMBL1907601 | P11802 | Cyclin-dependent kinase 4/cyclin D1 | 80.96% | 98.99% |
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.
| Annona squamosa |
| PubChem | 57509512 |
| LOTUS | LTS0167365 |
| wikiData | Q105159739 |