(3,4,6,9,14-Pentahydroxy-5,5,9,14-tetramethyl-16-tetracyclo[11.2.1.01,10.04,8]hexadecanyl) 2-hydroxypropanoate
| Internal ID | 4aad2a3f-710a-446e-a5fe-ebcab6b44bd5 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Grayanoids > Leucothol and grayanotoxane diterpenoids |
| IUPAC Name | (3,4,6,9,14-pentahydroxy-5,5,9,14-tetramethyl-16-tetracyclo[11.2.1.01,10.04,8]hexadecanyl) 2-hydroxypropanoate |
| SMILES (Canonical) | CC(C(=O)OC1C2CCC3C1(CC(C4(C(C3(C)O)CC(C4(C)C)O)O)O)CC2(C)O)O |
| SMILES (Isomeric) | CC(C(=O)OC1C2CCC3C1(CC(C4(C(C3(C)O)CC(C4(C)C)O)O)O)CC2(C)O)O |
| InChI | InChI=1S/C23H38O8/c1-11(24)18(27)31-17-12-6-7-13-21(5,29)14-8-15(25)19(2,3)23(14,30)16(26)9-22(13,17)10-20(12,4)28/h11-17,24-26,28-30H,6-10H2,1-5H3 |
| InChI Key | XXODEMBNTRANPZ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H38O8 |
| Molecular Weight | 442.50 g/mol |
| Exact Mass | 442.25666817 g/mol |
| Topological Polar Surface Area (TPSA) | 148.00 Ų |
| XlogP | 0.60 |
| There are no found synonyms. |
![2D Structure of (3,4,6,9,14-Pentahydroxy-5,5,9,14-tetramethyl-16-tetracyclo[11.2.1.01,10.04,8]hexadecanyl) 2-hydroxypropanoate](https://plantaedb.com/storage/docs/compounds/2023/11/a3675d10-81c5-11ee-b507-0ba2425d2842.jpg "2D Structure of (3,4,6,9,14-Pentahydroxy-5,5,9,14-tetramethyl-16-tetracyclo[11.2.1.01,10.04,8]hexadecanyl) 2-hydroxypropanoate")
| 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 | 97.22% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.01% | 96.09% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 96.63% | 83.82% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.78% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.48% | 97.09% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 90.21% | 91.19% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.50% | 98.95% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 89.35% | 96.77% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 88.92% | 85.14% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 88.30% | 91.24% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 87.40% | 96.38% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 87.18% | 96.47% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 86.76% | 94.00% |
| CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 86.11% | 82.50% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 85.93% | 95.71% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 85.90% | 98.03% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 83.46% | 97.14% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.35% | 95.89% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 82.43% | 96.61% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 81.74% | 100.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.71% | 95.89% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.35% | 100.00% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 80.93% | 97.79% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 80.59% | 85.31% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 80.36% | 93.00% |
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.
| Pieris japonica |
| PubChem | 54493676 |
| LOTUS | LTS0155941 |
| wikiData | Q105344129 |