[(3S,6S,7S,10S,11S,14E,18E)-2,3,6,10,11-pentahydroxy-2,6,10,15,19,23-hexamethyltetracosa-14,18,22-trien-7-yl] acetate
| Internal ID | 6b3a6440-ad61-4d5b-8d01-03fab93df352 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | [(3S,6S,7S,10S,11S,14E,18E)-2,3,6,10,11-pentahydroxy-2,6,10,15,19,23-hexamethyltetracosa-14,18,22-trien-7-yl] acetate |
| SMILES (Canonical) | CC(=CCCC(=CCCC(=CCCC(C(C)(CCC(C(C)(CCC(C(C)(C)O)O)O)OC(=O)C)O)O)C)C)C |
| SMILES (Isomeric) | CC(=CCC/C(=C/CC/C(=C/CC[C@@H]([C@](C)(CC[C@@H]([C@](C)(CC[C@@H](C(C)(C)O)O)O)OC(=O)C)O)O)/C)/C)C |
| InChI | InChI=1S/C32H58O7/c1-23(2)13-10-14-24(3)15-11-16-25(4)17-12-18-28(35)31(8,37)22-20-29(39-26(5)33)32(9,38)21-19-27(34)30(6,7)36/h13,15,17,27-29,34-38H,10-12,14,16,18-22H2,1-9H3/b24-15+,25-17+/t27-,28-,29-,31-,32-/m0/s1 |
| InChI Key | KDISVRQLNWRFRQ-MMWSCVDDSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C32H58O7 |
| Molecular Weight | 554.80 g/mol |
| Exact Mass | 554.41825418 g/mol |
| Topological Polar Surface Area (TPSA) | 127.00 Ų |
| XlogP | 5.50 |
| There are no found synonyms. |
![2D Structure of [(3S,6S,7S,10S,11S,14E,18E)-2,3,6,10,11-pentahydroxy-2,6,10,15,19,23-hexamethyltetracosa-14,18,22-trien-7-yl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/979c8850-8646-11ee-968c-953ca2fde8bd.jpg "2D Structure of [(3S,6S,7S,10S,11S,14E,18E)-2,3,6,10,11-pentahydroxy-2,6,10,15,19,23-hexamethyltetracosa-14,18,22-trien-7-yl] acetate")
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 96.19% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 95.92% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.42% | 96.09% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 92.07% | 89.34% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.84% | 99.17% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 90.72% | 94.73% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 90.61% | 92.08% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 89.55% | 97.21% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 88.21% | 92.68% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 87.53% | 85.14% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 87.28% | 91.11% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 86.72% | 98.75% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 86.60% | 97.29% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.57% | 94.45% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 82.71% | 89.50% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 82.14% | 96.95% |
| CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 82.05% | 82.50% |
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.
| Entandrophragma cylindricum |
| PubChem | 162904727 |
| LOTUS | LTS0071469 |
| wikiData | Q105139159 |