2-methyl-6-[(1,1,4,7-tetramethyl-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulen-4-yl)oxy]oxane-3,4,5-triol
| Internal ID | 7d8f079d-aea7-4309-a7f5-497ed8801d16 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene glycosides |
| IUPAC Name | 2-methyl-6-[(1,1,4,7-tetramethyl-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulen-4-yl)oxy]oxane-3,4,5-triol |
| SMILES (Canonical) | CC1CCC2C1C3C(C3(C)C)CCC2(C)OC4C(C(C(C(O4)C)O)O)O |
| SMILES (Isomeric) | CC1CCC2C1C3C(C3(C)C)CCC2(C)OC4C(C(C(C(O4)C)O)O)O |
| InChI | InChI=1S/C21H36O5/c1-10-6-7-12-14(10)15-13(20(15,3)4)8-9-21(12,5)26-19-18(24)17(23)16(22)11(2)25-19/h10-19,22-24H,6-9H2,1-5H3 |
| InChI Key | WKAWIUQHIDXDJS-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H36O5 |
| Molecular Weight | 368.50 g/mol |
| Exact Mass | 368.25627424 g/mol |
| Topological Polar Surface Area (TPSA) | 79.20 Ų |
| XlogP | 2.60 |
| There are no found synonyms. |
![2D Structure of 2-methyl-6-[(1,1,4,7-tetramethyl-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulen-4-yl)oxy]oxane-3,4,5-triol](https://plantaedb.com/storage/docs/compounds/2023/11/2b0d6af0-8611-11ee-b954-b5a1751032ac.jpg "2D Structure of 2-methyl-6-[(1,1,4,7-tetramethyl-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulen-4-yl)oxy]oxane-3,4,5-triol")
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.21% | 96.09% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 94.42% | 96.38% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.67% | 91.11% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 92.18% | 96.77% |
| CHEMBL2243 | O00519 | Anandamide amidohydrolase | 91.64% | 97.53% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.30% | 86.33% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.30% | 97.09% |
| CHEMBL1163125 | O60885 | Bromodomain-containing protein 4 | 87.57% | 97.31% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 87.27% | 95.93% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.50% | 95.89% |
| CHEMBL1907601 | P11802 | Cyclin-dependent kinase 4/cyclin D1 | 86.48% | 98.99% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.40% | 100.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 86.07% | 92.94% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 84.59% | 96.61% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 83.18% | 90.17% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 82.00% | 89.05% |
| CHEMBL4618 | P09960 | Leukotriene A4 hydrolase | 81.47% | 97.86% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 80.26% | 95.89% |
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.
| Calendula arvensis |
| PubChem | 14138833 |
| LOTUS | LTS0129900 |
| wikiData | Q105307171 |