Debenzoylzucchini factor B
| Internal ID | 6c3c0884-a338-47fa-aa46-21d2ca5dbc3b |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | [11-(hydroxymethyl)-4,4,6a,6b,8a,11,14b-heptamethyl-1,2,3,4a,5,7,8,9,10,12,12a,13-dodecahydropicen-3-yl] 4-aminobenzoate |
| SMILES (Canonical) | CC1(C(CCC2(C1CC=C3C2=CCC4(C3(CCC5(C4CC(CC5)(C)CO)C)C)C)C)OC(=O)C6=CC=C(C=C6)N)C |
| SMILES (Isomeric) | CC1(C(CCC2(C1CC=C3C2=CCC4(C3(CCC5(C4CC(CC5)(C)CO)C)C)C)C)OC(=O)C6=CC=C(C=C6)N)C |
| InChI | InChI=1S/C37H53NO3/c1-32(2)28-13-12-27-26(35(28,5)16-15-30(32)41-31(40)24-8-10-25(38)11-9-24)14-17-37(7)29-22-33(3,23-39)18-19-34(29,4)20-21-36(27,37)6/h8-12,14,28-30,39H,13,15-23,38H2,1-7H3 |
| InChI Key | ZWMUXUKAKHYXMZ-UHFFFAOYSA-N |
| Popularity | 4 references in papers |
| Molecular Formula | C37H53NO3 |
| Molecular Weight | 559.80 g/mol |
| Exact Mass | 559.40254455 g/mol |
| Topological Polar Surface Area (TPSA) | 72.60 Ų |
| XlogP | 8.50 |
| CHEBI:192200 |
| [11-(hydroxymethyl)-4,4,6a,6b,8a,11,14b-heptamethyl-1,2,3,4a,5,7,8,9,10,12,12a,13-dodecahydropicen-3-yl] 4-aminobenzoate |
| 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 | 97.03% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 95.66% | 97.09% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 93.80% | 90.24% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.48% | 91.11% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 92.31% | 95.89% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 90.27% | 90.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.22% | 98.95% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 88.00% | 92.94% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.75% | 86.33% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 86.50% | 90.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.16% | 100.00% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 85.30% | 96.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 83.22% | 99.17% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.61% | 95.56% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.75% | 92.62% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 81.47% | 97.25% |
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.
| Cucurbita pepo |
| PubChem | 131752152 |
| LOTUS | LTS0188470 |
| wikiData | Q105385047 |