A(1)-Norlup-20(29)-en-28-oic acid, 2-formyl-3-hydroxy-, methyl ester
| Internal ID | 17acc00b-f494-4950-a74b-32669db45f15 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | methyl 15-formyl-16-hydroxy-1,2,14,17,17-pentamethyl-8-prop-1-en-2-ylpentacyclo[11.7.0.02,10.05,9.014,18]icosane-5-carboxylate |
| SMILES (Canonical) | CC(=C)C1CCC2(C1C3CCC4C(C3(CC2)C)(CCC5C4(C(C(C5(C)C)O)C=O)C)C)C(=O)OC |
| SMILES (Isomeric) | CC(=C)C1CCC2(C1C3CCC4C(C3(CC2)C)(CCC5C4(C(C(C5(C)C)O)C=O)C)C)C(=O)OC |
| InChI | InChI=1S/C31H48O4/c1-18(2)19-11-14-31(26(34)35-8)16-15-28(5)20(24(19)31)9-10-23-29(28,6)13-12-22-27(3,4)25(33)21(17-32)30(22,23)7/h17,19-25,33H,1,9-16H2,2-8H3 |
| InChI Key | VNQNQJNGBWCRSN-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C31H48O4 |
| Molecular Weight | 484.70 g/mol |
| Exact Mass | 484.35526001 g/mol |
| Topological Polar Surface Area (TPSA) | 63.60 Ų |
| XlogP | 7.80 |
| A(1)-Norlup-20(29)-en-28-oic acid, 2-formyl-3-hydroxy-, methyl ester |
| Methyl 10-formyl-9-hydroxy-1-isopropenyl-5a,5b,8,8,10a-pentamethyloctadecahydrodicyclopenta[a,i]phenanthrene-3a(1H)-carboxylate # |
| 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 | 96.42% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.55% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.62% | 94.45% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 91.49% | 91.19% |
| CHEMBL233 | P35372 | Mu opioid receptor | 90.59% | 97.93% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.79% | 98.95% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 89.01% | 92.94% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.67% | 95.56% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 84.28% | 95.50% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.56% | 95.89% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 83.53% | 83.82% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 83.09% | 91.24% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.07% | 100.00% |
| CHEMBL5028 | O14672 | ADAM10 | 83.03% | 97.50% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 82.79% | 92.88% |
| CHEMBL4072 | P07858 | Cathepsin B | 82.55% | 93.67% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 82.26% | 100.00% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 82.08% | 82.69% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.88% | 97.14% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 80.79% | 92.86% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.66% | 97.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.27% | 86.33% |
| CHEMBL1871 | P10275 | Androgen Receptor | 80.03% | 96.43% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 80.02% | 94.33% |
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.
| Frangula granulosa |
| PubChem | 604982 |
| LOTUS | LTS0064330 |
| wikiData | Q105289856 |