(1S,4S,5R,9R,10R,11S,12R,13S,14S)-5-(hydroxymethyl)-5,9,13-trimethylpentacyclo[11.2.1.01,10.04,9.012,14]hexadecan-11-ol
| Internal ID | 9eb8bda0-23eb-491c-aada-860efb428e0c |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Kaurane diterpenoids |
| IUPAC Name | (1S,4S,5R,9R,10R,11S,12R,13S,14S)-5-(hydroxymethyl)-5,9,13-trimethylpentacyclo[11.2.1.01,10.04,9.012,14]hexadecan-11-ol |
| SMILES (Canonical) | CC1(CCCC2(C1CCC34C2C(C5C(C3)C5(C4)C)O)C)CO |
| SMILES (Isomeric) | C[C@]1(CCC[C@@]2([C@@H]1CC[C@]34[C@H]2[C@H]([C@@H]5[C@H](C3)[C@@]5(C4)C)O)C)CO |
| InChI | InChI=1S/C20H32O2/c1-17(11-21)6-4-7-18(2)13(17)5-8-20-9-12-14(15(22)16(18)20)19(12,3)10-20/h12-16,21-22H,4-11H2,1-3H3/t12-,13+,14-,15-,16-,17-,18+,19-,20-/m0/s1 |
| InChI Key | DMQFAQXMXSGJDA-XKQVJFGDSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H32O2 |
| Molecular Weight | 304.50 g/mol |
| Exact Mass | 304.240230259 g/mol |
| Topological Polar Surface Area (TPSA) | 40.50 Ų |
| XlogP | 4.50 |
| There are no found synonyms. |
![2D Structure of (1S,4S,5R,9R,10R,11S,12R,13S,14S)-5-(hydroxymethyl)-5,9,13-trimethylpentacyclo[11.2.1.01,10.04,9.012,14]hexadecan-11-ol](https://plantaedb.com/storage/docs/compounds/2023/11/9a40f110-86d4-11ee-b090-b950bc055f57.jpg "2D Structure of (1S,4S,5R,9R,10R,11S,12R,13S,14S)-5-(hydroxymethyl)-5,9,13-trimethylpentacyclo[11.2.1.01,10.04,9.012,14]hexadecan-11-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 | 95.86% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.95% | 96.09% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 94.44% | 96.61% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 93.39% | 95.93% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.81% | 91.11% |
| CHEMBL206 | P03372 | Estrogen receptor alpha | 90.83% | 97.64% |
| CHEMBL204 | P00734 | Thrombin | 90.55% | 96.01% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.25% | 97.09% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 89.34% | 96.77% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.17% | 95.89% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 88.12% | 95.38% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 88.10% | 96.38% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 87.87% | 95.50% |
| CHEMBL2815 | P04629 | Nerve growth factor receptor Trk-A | 87.65% | 87.16% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 87.55% | 94.75% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 87.07% | 92.94% |
| CHEMBL5600 | P27448 | Serine/threonine-protein kinase c-TAK1 | 86.62% | 88.81% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 86.51% | 82.69% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.46% | 100.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.39% | 98.95% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 83.30% | 98.10% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 82.05% | 100.00% |
| CHEMBL4370 | P16662 | UDP-glucuronosyltransferase 2B7 | 82.04% | 100.00% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 80.25% | 97.79% |
| CHEMBL5888 | Q99558 | Mitogen-activated protein kinase kinase kinase 14 | 80.18% | 100.00% |
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.
| Helianthus radula |
| PubChem | 162942488 |
| LOTUS | LTS0177481 |
| wikiData | Q105184628 |