19-Hydroxy-1,7,7,11,16,20,20-heptamethylpentacyclo[13.8.0.03,12.06,11.016,21]tricos-3-en-8-one
| Internal ID | 539a40bc-6bac-43e6-a825-b393bc968137 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | 19-hydroxy-1,7,7,11,16,20,20-heptamethylpentacyclo[13.8.0.03,12.06,11.016,21]tricos-3-en-8-one |
| SMILES (Canonical) | CC1(C2CCC3(CC4=CCC5C(C(=O)CCC5(C4CCC3C2(CCC1O)C)C)(C)C)C)C |
| SMILES (Isomeric) | CC1(C2CCC3(CC4=CCC5C(C(=O)CCC5(C4CCC3C2(CCC1O)C)C)(C)C)C)C |
| InChI | InChI=1S/C30H48O2/c1-26(2)21-10-8-19-18-28(5)15-12-22-27(3,4)25(32)14-17-30(22,7)23(28)11-9-20(19)29(21,6)16-13-24(26)31/h8,20-23,25,32H,9-18H2,1-7H3 |
| InChI Key | KRANIZODLRGAFB-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H48O2 |
| Molecular Weight | 440.70 g/mol |
| Exact Mass | 440.365430770 g/mol |
| Topological Polar Surface Area (TPSA) | 37.30 Ų |
| XlogP | 7.20 |
| There are no found synonyms. |
![2D Structure of 19-Hydroxy-1,7,7,11,16,20,20-heptamethylpentacyclo[13.8.0.03,12.06,11.016,21]tricos-3-en-8-one](https://plantaedb.com/storage/docs/compounds/2023/11/19-hydroxy-17711162020-heptamethylpentacyclo13800312061101621tricos-3-en-8-one.jpg "2D Structure of 19-Hydroxy-1,7,7,11,16,20,20-heptamethylpentacyclo[13.8.0.03,12.06,11.016,21]tricos-3-en-8-one")
| 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 |
|---|---|---|---|---|
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 95.87% | 83.82% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 94.50% | 94.75% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 94.24% | 85.30% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.52% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.46% | 97.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.90% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 86.86% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 86.08% | 97.25% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 85.79% | 90.17% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.67% | 95.89% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.15% | 95.56% |
| CHEMBL2850 | P49840 | Glycogen synthase kinase-3 alpha | 83.91% | 88.84% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.28% | 100.00% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 82.53% | 82.69% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 82.48% | 90.08% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 82.41% | 96.38% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.20% | 94.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.19% | 94.45% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 80.81% | 85.11% |
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 |
| Picea jezoensis |
| Picea sitchensis |
| Pinus luchuensis |
| PubChem | 73816206 |
| LOTUS | LTS0073910 |
| wikiData | Q105144901 |