19-Hydroxy-8-(4-hydroxybenzoyl)oxy-20-(hydroxymethyl)-3,7,11,16,20-pentamethylpentacyclo[13.8.0.03,12.06,11.016,21]tricos-1(23)-ene-7-carboxylic acid
| Internal ID | 1508f9e1-a2f7-4368-ac9f-f81ada2f5703 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | 19-hydroxy-8-(4-hydroxybenzoyl)oxy-20-(hydroxymethyl)-3,7,11,16,20-pentamethylpentacyclo[13.8.0.03,12.06,11.016,21]tricos-1(23)-ene-7-carboxylic acid |
| SMILES (Canonical) | CC12CCC3C(C1CCC4C(=CCC5C4(CCC(C5(C)CO)O)C)C2)(CCC(C3(C)C(=O)O)OC(=O)C6=CC=C(C=C6)O)C |
| SMILES (Isomeric) | CC12CCC3C(C1CCC4C(=CCC5C4(CCC(C5(C)CO)O)C)C2)(CCC(C3(C)C(=O)O)OC(=O)C6=CC=C(C=C6)O)C |
| InChI | InChI=1S/C37H52O7/c1-33-17-14-28-35(3,19-16-30(37(28,5)32(42)43)44-31(41)22-6-9-24(39)10-7-22)26(33)13-11-25-23(20-33)8-12-27-34(25,2)18-15-29(40)36(27,4)21-38/h6-10,25-30,38-40H,11-21H2,1-5H3,(H,42,43) |
| InChI Key | CMBKJSYUCWJEIW-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C37H52O7 |
| Molecular Weight | 608.80 g/mol |
| Exact Mass | 608.37130399 g/mol |
| Topological Polar Surface Area (TPSA) | 124.00 Ų |
| XlogP | 7.50 |
| There are no found synonyms. |
![2D Structure of 19-Hydroxy-8-(4-hydroxybenzoyl)oxy-20-(hydroxymethyl)-3,7,11,16,20-pentamethylpentacyclo[13.8.0.03,12.06,11.016,21]tricos-1(23)-ene-7-carboxylic acid](https://plantaedb.com/storage/docs/compounds/2023/11/8a074610-85b9-11ee-8ed9-93df250ec24f.jpg "2D Structure of 19-Hydroxy-8-(4-hydroxybenzoyl)oxy-20-(hydroxymethyl)-3,7,11,16,20-pentamethylpentacyclo[13.8.0.03,12.06,11.016,21]tricos-1(23)-ene-7-carboxylic acid")
| 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 | 96.36% | 83.82% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.27% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.10% | 86.33% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 94.06% | 95.89% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.36% | 98.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.40% | 97.09% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 90.78% | 93.99% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 87.60% | 90.00% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 85.10% | 96.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.54% | 99.17% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 83.99% | 90.17% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 83.66% | 95.89% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.14% | 91.19% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 81.28% | 93.00% |
| CHEMBL4145 | Q9UKV0 | Histone deacetylase 9 | 81.13% | 85.49% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 81.02% | 91.07% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.89% | 89.00% |
| CHEMBL3232685 | O00257 | E3 SUMO-protein ligase CBX4 | 80.69% | 93.00% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 80.24% | 93.04% |
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.
| Lycopodiella cernua |
| PubChem | 75079485 |
| LOTUS | LTS0212911 |
| wikiData | Q104964290 |