3Alpha,6beta,16beta,17,18-pentahydroxyaphidicolane
| Internal ID | 701c2145-8bc2-4918-b965-d51fd09f9bf2 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Aphidicolane and stemodane diterpenoids |
| IUPAC Name | (1S,2S,5R,6R,7R,8R,10R,12R,13R)-6,13-bis(hydroxymethyl)-2,6-dimethyltetracyclo[10.3.1.01,10.02,7]hexadecane-5,8,13-triol |
| SMILES (Canonical) | CC12CCC(C(C1C(CC3C24CCC(C(C3)C4)(CO)O)O)(C)CO)O |
| SMILES (Isomeric) | C[C@]12CC[C@H]([C@@]([C@@H]1[C@@H](C[C@@H]3[C@@]24CC[C@@]([C@H](C3)C4)(CO)O)O)(C)CO)O |
| InChI | InChI=1S/C20H34O5/c1-17(10-21)15(24)3-4-18(2)16(17)14(23)8-12-7-13-9-19(12,18)5-6-20(13,25)11-22/h12-16,21-25H,3-11H2,1-2H3/t12-,13-,14-,15-,16+,17-,18+,19+,20+/m1/s1 |
| InChI Key | SOPHJADXFALVLH-YLNIWBQCSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C20H34O5 |
| Molecular Weight | 354.50 g/mol |
| Exact Mass | 354.24062418 g/mol |
| Topological Polar Surface Area (TPSA) | 101.00 Ų |
| XlogP | 1.20 |
| 82026-07-1 |
| 6beta-hydroxyaphidicolin |
| 3alpha,6beta,16beta,17,18-Pentahydroxyaphidicolane |
| CHEMBL483834 |
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.57% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 96.82% | 97.25% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 96.12% | 97.09% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 92.79% | 82.69% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.18% | 96.09% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 88.53% | 97.79% |
| CHEMBL1871 | P10275 | Androgen Receptor | 87.45% | 96.43% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.33% | 100.00% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 84.60% | 90.17% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 84.50% | 98.03% |
| CHEMBL4302 | P08183 | P-glycoprotein 1 | 84.39% | 92.98% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 84.02% | 95.38% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 83.15% | 96.95% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 83.01% | 90.08% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 82.86% | 95.93% |
| CHEMBL5888 | Q99558 | Mitogen-activated protein kinase kinase kinase 14 | 81.42% | 100.00% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 81.34% | 97.05% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.24% | 95.89% |
| CHEMBL4805 | Q99572 | P2X purinoceptor 7 | 80.29% | 97.50% |
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.
| There are no matching plants. |
| PubChem | 5458780 |
| LOTUS | LTS0214851 |
| wikiData | Q75052719 |