(3S,6R,7R,8R,11R,12R,15S,16R,19R,21R)-8,19-dihydroxy-3,7,11,16,20,20-hexamethyl-22-oxopentacyclo[13.8.0.03,12.06,11.016,21]tricos-1(23)-ene-7-carbaldehyde
| Internal ID | ddc4e0fb-3d27-47e2-9637-bb9ffd5ff185 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | (3S,6R,7R,8R,11R,12R,15S,16R,19R,21R)-8,19-dihydroxy-3,7,11,16,20,20-hexamethyl-22-oxopentacyclo[13.8.0.03,12.06,11.016,21]tricos-1(23)-ene-7-carbaldehyde |
| SMILES (Canonical) | CC1(C(CCC2(C1C(=O)C=C3C2CCC4C(C3)(CCC5C4(CCC(C5(C)C=O)O)C)C)C)O)C |
| SMILES (Isomeric) | C[C@@]12CC[C@@H]3[C@@]([C@@H]1CC[C@H]4C(=CC(=O)[C@@H]5[C@@]4(CC[C@H](C5(C)C)O)C)C2)(CC[C@H]([C@]3(C)C=O)O)C |
| InChI | InChI=1S/C30H46O4/c1-26(2)23(33)10-13-28(4)19-7-8-21-27(3,16-18(19)15-20(32)25(26)28)12-9-22-29(21,5)14-11-24(34)30(22,6)17-31/h15,17,19,21-25,33-34H,7-14,16H2,1-6H3/t19-,21+,22+,23+,24+,25-,27-,28+,29+,30+/m0/s1 |
| InChI Key | AEHNGXKQQZDWGN-PPXVJYQKSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H46O4 |
| Molecular Weight | 470.70 g/mol |
| Exact Mass | 470.33960994 g/mol |
| Topological Polar Surface Area (TPSA) | 74.60 Ų |
| XlogP | 5.70 |
| There are no found synonyms. |
![2D Structure of (3S,6R,7R,8R,11R,12R,15S,16R,19R,21R)-8,19-dihydroxy-3,7,11,16,20,20-hexamethyl-22-oxopentacyclo[13.8.0.03,12.06,11.016,21]tricos-1(23)-ene-7-carbaldehyde](https://plantaedb.com/storage/docs/compounds/2023/11/ea8ffd50-8532-11ee-a9ed-432ea35c1d0e.jpg "2D Structure of (3S,6R,7R,8R,11R,12R,15S,16R,19R,21R)-8,19-dihydroxy-3,7,11,16,20,20-hexamethyl-22-oxopentacyclo[13.8.0.03,12.06,11.016,21]tricos-1(23)-ene-7-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 | 91.16% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.71% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.59% | 97.09% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 89.37% | 94.75% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.14% | 95.89% |
| CHEMBL325 | Q13547 | Histone deacetylase 1 | 89.01% | 95.92% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 88.77% | 85.30% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.46% | 100.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 87.18% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.77% | 98.95% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 86.54% | 90.17% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 84.92% | 82.69% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 84.33% | 93.00% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 83.83% | 97.25% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.69% | 94.45% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 82.27% | 85.11% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.02% | 89.00% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 81.79% | 95.93% |
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 80.38% | 94.78% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 80.06% | 92.97% |
| CHEMBL4145 | Q9UKV0 | Histone deacetylase 9 | 80.05% | 85.49% |
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.
| Huperzia serrata |
| PubChem | 162844489 |
| LOTUS | LTS0150211 |
| wikiData | Q104910070 |