[2-[(1,4a-Dimethyl-7-prop-1-en-2-yl-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-yl)oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] 3-phenylprop-2-enoate
| Internal ID | 4c9790a6-c29f-4564-a6d2-ca56aba8f2bb |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene glycosides |
| IUPAC Name | [2-[(1,4a-dimethyl-7-prop-1-en-2-yl-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-yl)oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] 3-phenylprop-2-enoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C30H42O7/c1-19(2)21-13-16-29(3)14-8-15-30(4,23(29)17-21)37-28-27(26(34)25(33)22(18-31)35-28)36-24(32)12-11-20-9-6-5-7-10-20/h5-7,9-12,21-23,25-28,31,33-34H,1,8,13-18H2,2-4H3 |
| InChI Key | YDHLCYDUVHZRHO-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H42O7 |
| Molecular Weight | 514.60 g/mol |
| Exact Mass | 514.29305367 g/mol |
| Topological Polar Surface Area (TPSA) | 105.00 Ų |
| XlogP | 5.50 |
| There are no found synonyms. |
![2D Structure of [2-[(1,4a-Dimethyl-7-prop-1-en-2-yl-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-yl)oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] 3-phenylprop-2-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/7ade82e0-8565-11ee-8422-dd24f50efe3e.jpg "2D Structure of [2-[(1,4a-Dimethyl-7-prop-1-en-2-yl-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-yl)oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] 3-phenylprop-2-enoate")
| 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 | 99.25% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.84% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 96.15% | 86.33% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 95.74% | 90.17% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.48% | 97.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.70% | 95.56% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 92.12% | 96.00% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 90.57% | 94.62% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.99% | 98.95% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 89.85% | 95.50% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.65% | 89.00% |
| CHEMBL5028 | O14672 | ADAM10 | 86.60% | 97.50% |
| CHEMBL216 | P11229 | Muscarinic acetylcholine receptor M1 | 86.59% | 94.23% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 86.34% | 97.33% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 85.76% | 94.08% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 83.41% | 91.07% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 80.68% | 93.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.51% | 94.45% |
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.
| Fissistigma pallens |
| PubChem | 73039225 |
| LOTUS | LTS0225584 |
| wikiData | Q105346747 |