10-[4,5-Dihydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-hydroxy-4,5,9,9,13,20-hexamethyl-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracosane-20-carbaldehyde
| Internal ID | c30bbe65-3dde-42a1-ab90-2cb4a52b2628 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | 10-[4,5-dihydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-hydroxy-4,5,9,9,13,20-hexamethyl-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracosane-20-carbaldehyde |
| SMILES (Canonical) | CC1(C2CCC3(C(C2(CCC1OC4C(C(C(CO4)O)O)OC5C(C(C(C(O5)CO)O)O)O)C)CCC67C3(CC(C8(C6CC(CC8)(C)C=O)CO7)O)C)C)C |
| SMILES (Isomeric) | CC1(C2CCC3(C(C2(CCC1OC4C(C(C(CO4)O)O)OC5C(C(C(C(O5)CO)O)O)O)C)CCC67C3(CC(C8(C6CC(CC8)(C)C=O)CO7)O)C)C)C |
| InChI | InChI=1S/C41H66O13/c1-35(2)23-7-11-38(5)24(8-12-41-25-15-36(3,19-43)13-14-40(25,20-51-41)26(45)16-39(38,41)6)37(23,4)10-9-27(35)53-34-32(28(46)21(44)18-50-34)54-33-31(49)30(48)29(47)22(17-42)52-33/h19,21-34,42,44-49H,7-18,20H2,1-6H3 |
| InChI Key | FZQJTHNFFQEVBF-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C41H66O13 |
| Molecular Weight | 767.00 g/mol |
| Exact Mass | 766.45034216 g/mol |
| Topological Polar Surface Area (TPSA) | 205.00 Ų |
| XlogP | 2.00 |
| There are no found synonyms. |
![2D Structure of 10-[4,5-Dihydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-hydroxy-4,5,9,9,13,20-hexamethyl-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracosane-20-carbaldehyde](https://plantaedb.com/storage/docs/compounds/2023/11/60a73970-865a-11ee-8391-d7bb741d56c0.jpg "2D Structure of 10-[4,5-Dihydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-hydroxy-4,5,9,9,13,20-hexamethyl-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracosane-20-carbaldehyde")
| 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 | 96.93% | 96.09% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 93.90% | 95.93% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.10% | 91.11% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 89.96% | 91.24% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.03% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.39% | 97.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.36% | 98.95% |
| CHEMBL233 | P35372 | Mu opioid receptor | 87.82% | 97.93% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.67% | 100.00% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 87.36% | 96.61% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 87.08% | 97.25% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 86.22% | 95.50% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 85.70% | 94.33% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.64% | 95.89% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 84.88% | 97.28% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 84.10% | 94.75% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 82.88% | 96.77% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 82.84% | 96.21% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.67% | 95.89% |
| CHEMBL5028 | O14672 | ADAM10 | 81.50% | 97.50% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.25% | 97.14% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 80.58% | 92.50% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 80.53% | 100.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 80.38% | 95.56% |
| CHEMBL325 | Q13547 | Histone deacetylase 1 | 80.06% | 95.92% |
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.
| Androsace umbellata |
| Lysimachia davurica |
| PubChem | 162896572 |
| LOTUS | LTS0103727 |
| wikiData | Q105005116 |