16betaH-Kauran-16-ol
| Internal ID | 2bdf820e-4e9b-45a5-ace2-852aaf5bcc19 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Kaurane diterpenoids |
| IUPAC Name | (1S,4R,9R,10R,13R,14S)-5,5,9,14-tetramethyltetracyclo[11.2.1.01,10.04,9]hexadecan-14-ol |
| SMILES (Canonical) | CC1(CCCC2(C1CCC34C2CCC(C3)C(C4)(C)O)C)C |
| SMILES (Isomeric) | C[C@@]12CCCC([C@H]1CC[C@]34[C@H]2CC[C@H](C3)[C@@](C4)(C)O)(C)C |
| InChI | InChI=1S/C20H34O/c1-17(2)9-5-10-18(3)15(17)8-11-20-12-14(6-7-16(18)20)19(4,21)13-20/h14-16,21H,5-13H2,1-4H3/t14-,15-,16+,18-,19+,20+/m1/s1 |
| InChI Key | FZSRMADKTOBCNT-URTLRTLISA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H34O |
| Molecular Weight | 290.50 g/mol |
| Exact Mass | 290.260965704 g/mol |
| Topological Polar Surface Area (TPSA) | 20.20 Ų |
| XlogP | 5.90 |
| 5354-44-9 |
| 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 | 97.69% | 97.25% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 95.12% | 96.38% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.16% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 88.80% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.32% | 97.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.11% | 100.00% |
| CHEMBL4370 | P16662 | UDP-glucuronosyltransferase 2B7 | 83.33% | 100.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.62% | 95.89% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 82.49% | 95.50% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 82.36% | 82.69% |
| CHEMBL3012 | Q13946 | Phosphodiesterase 7A | 82.06% | 99.29% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 82.04% | 95.38% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 81.74% | 98.10% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 81.51% | 91.79% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 81.48% | 96.61% |
| CHEMBL1907601 | P11802 | Cyclin-dependent kinase 4/cyclin D1 | 81.32% | 98.99% |
| CHEMBL5600 | P27448 | Serine/threonine-protein kinase c-TAK1 | 80.67% | 88.81% |
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.
| Solidago missouriensis |
| Xylopia aethiopica |
| PubChem | 102116902 |
| LOTUS | LTS0153242 |
| wikiData | Q105005165 |