6,10-Dihydroxy-2,2,4a,6a,6b,9,12a-heptamethyl-9-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-1,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydropicene-3,13-dione
| Internal ID | 4924003d-5e70-40a8-bd11-ec3dd892a8e3 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene glycosides > Triterpene glycosides > Triterpene saponins |
| IUPAC Name | 6,10-dihydroxy-2,2,4a,6a,6b,9,12a-heptamethyl-9-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-1,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydropicene-3,13-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C36H56O10/c1-31(2)13-19-18-12-20(38)29-33(4)10-9-23(39)34(5,17-45-30-28(44)27(43)26(42)21(16-37)46-30)22(33)8-11-35(29,6)36(18,7)25(41)15-32(19,3)14-24(31)40/h12,19,21-23,25-30,37,39,41-44H,8-11,13-17H2,1-7H3 |
| InChI Key | LAFVTHZVXKBCAF-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C36H56O10 |
| Molecular Weight | 648.80 g/mol |
| Exact Mass | 648.38734798 g/mol |
| Topological Polar Surface Area (TPSA) | 174.00 Ų |
| XlogP | 2.10 |
| There are no found synonyms. |
![2D Structure of 6,10-Dihydroxy-2,2,4a,6a,6b,9,12a-heptamethyl-9-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-1,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydropicene-3,13-dione](https://plantaedb.com/storage/docs/compounds/2023/11/9f57e680-851c-11ee-89d3-cd9b5269e6c8.jpg "2D Structure of 6,10-Dihydroxy-2,2,4a,6a,6b,9,12a-heptamethyl-9-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-1,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydropicene-3,13-dione")
| 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 | 96.02% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.31% | 97.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.18% | 94.45% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 90.75% | 94.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.44% | 96.09% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 88.41% | 90.17% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.53% | 95.56% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 87.33% | 95.93% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 86.52% | 97.25% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 86.41% | 96.61% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 86.13% | 97.36% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.78% | 95.89% |
| CHEMBL2581 | P07339 | Cathepsin D | 84.65% | 98.95% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.41% | 100.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 82.50% | 85.14% |
| CHEMBL2959 | Q08881 | Tyrosine-protein kinase ITK/TSK | 81.43% | 95.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.55% | 99.23% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 80.12% | 91.07% |
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.
| Apium graveolens |
| PubChem | 75033339 |
| LOTUS | LTS0083758 |
| wikiData | Q105148622 |