[3,5-Diacetyloxy-4-[3,5-diacetyloxy-6-(acetyloxymethyl)-4-methoxyoxan-2-yl]oxy-6-[4,5-diacetyloxy-6-[[19-(2-hydroxy-6-methylhept-6-en-2-yl)-5,9,9,14-tetramethyl-18-oxo-17-oxapentacyclo[14.2.1.01,14.04,13.05,10]nonadec-3-en-8-yl]oxy]oxan-3-yl]oxyoxan-2-yl]methyl acetate
| Internal ID | 726b34b9-7ac6-4a6e-9152-85e4434178e4 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | [3,5-diacetyloxy-4-[3,5-diacetyloxy-6-(acetyloxymethyl)-4-methoxyoxan-2-yl]oxy-6-[4,5-diacetyloxy-6-[[19-(2-hydroxy-6-methylhept-6-en-2-yl)-5,9,9,14-tetramethyl-18-oxo-17-oxapentacyclo[14.2.1.01,14.04,13.05,10]nonadec-3-en-8-yl]oxy]oxan-3-yl]oxyoxan-2-yl]methyl acetate |
| SMILES (Canonical) | CC(=C)CCCC(C)(C1C2CC3(C1(CC=C4C3CCC5C4(CCC(C5(C)C)OC6C(C(C(CO6)OC7C(C(C(C(O7)COC(=O)C)OC(=O)C)OC8C(C(C(C(O8)COC(=O)C)OC(=O)C)OC)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C)C(=O)O2)C)O |
| SMILES (Isomeric) | CC(=C)CCCC(C)(C1C2CC3(C1(CC=C4C3CCC5C4(CCC(C5(C)C)OC6C(C(C(CO6)OC7C(C(C(C(O7)COC(=O)C)OC(=O)C)OC8C(C(C(C(O8)COC(=O)C)OC(=O)C)OC)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C)C(=O)O2)C)O |
| InChI | InChI=1S/C64H92O26/c1-30(2)18-17-23-63(15,74)55-41-26-62(14)40-19-20-45-60(11,12)46(22-24-61(45,13)39(40)21-25-64(55,62)59(73)88-41)89-56-52(82-36(8)70)49(81-35(7)69)44(29-78-56)86-57-54(84-38(10)72)51(48(80-34(6)68)43(85-57)28-77-32(4)66)90-58-53(83-37(9)71)50(75-16)47(79-33(5)67)42(87-58)27-76-31(3)65/h21,40-58,74H,1,17-20,22-29H2,2-16H3 |
| InChI Key | IXJMOUJVWBZINT-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C64H92O26 |
| Molecular Weight | 1277.40 g/mol |
| Exact Mass | 1276.58768304 g/mol |
| Topological Polar Surface Area (TPSA) | 322.00 Ų |
| XlogP | 5.40 |
| There are no found synonyms. |
![2D Structure of [3,5-Diacetyloxy-4-[3,5-diacetyloxy-6-(acetyloxymethyl)-4-methoxyoxan-2-yl]oxy-6-[4,5-diacetyloxy-6-[[19-(2-hydroxy-6-methylhept-6-en-2-yl)-5,9,9,14-tetramethyl-18-oxo-17-oxapentacyclo[14.2.1.01,14.04,13.05,10]nonadec-3-en-8-yl]oxy]oxan-3-yl]oxyoxan-2-yl]methyl acetate](https://plantaedb.com/storage/docs/compounds/2023/11/73e5ac60-86d3-11ee-a6cf-a76843429d1c.jpg "2D Structure of [3,5-Diacetyloxy-4-[3,5-diacetyloxy-6-(acetyloxymethyl)-4-methoxyoxan-2-yl]oxy-6-[4,5-diacetyloxy-6-[[19-(2-hydroxy-6-methylhept-6-en-2-yl)-5,9,9,14-tetramethyl-18-oxo-17-oxapentacyclo[14.2.1.01,14.04,13.05,10]nonadec-3-en-8-yl]oxy]oxan-3-yl]oxyoxan-2-yl]methyl 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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 98.77% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.95% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.86% | 96.09% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 95.62% | 92.50% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.05% | 94.45% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 93.01% | 97.79% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 92.16% | 96.77% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.07% | 98.95% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 91.83% | 91.49% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 90.68% | 100.00% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 89.76% | 97.29% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.42% | 86.33% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.47% | 95.89% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 88.43% | 95.71% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 88.00% | 92.94% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.83% | 97.09% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 87.79% | 94.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.20% | 89.00% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 87.14% | 97.28% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.64% | 99.17% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 86.24% | 91.19% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 86.14% | 97.14% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 85.37% | 97.05% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 84.30% | 93.00% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 84.27% | 95.17% |
| CHEMBL1871 | P10275 | Androgen Receptor | 84.04% | 96.43% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 83.68% | 85.14% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.48% | 95.56% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.30% | 100.00% |
| CHEMBL5028 | O14672 | ADAM10 | 83.28% | 97.50% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 82.63% | 94.33% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 82.16% | 96.61% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 81.73% | 94.75% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 80.59% | 97.33% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 80.09% | 91.03% |
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.
| Micromeles japonica |
| PubChem | 162842916 |
| LOTUS | LTS0069781 |
| wikiData | Q105122222 |