Methyl 6-[13-(3-methoxy-3-oxopropyl)-4,8-dimethyl-12-prop-1-en-2-yl-5-tetracyclo[7.5.0.01,13.04,8]tetradecanyl]-2-methylhept-2-enoate
| Internal ID | a2fe653d-78d5-4e39-a01c-5cf464364521 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | methyl 6-[13-(3-methoxy-3-oxopropyl)-4,8-dimethyl-12-prop-1-en-2-yl-5-tetracyclo[7.5.0.01,13.04,8]tetradecanyl]-2-methylhept-2-enoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C32H50O4/c1-21(2)24-12-13-26-30(6)16-14-25(22(3)10-9-11-23(4)28(34)36-8)29(30,5)18-19-32(26)20-31(24,32)17-15-27(33)35-7/h11,22,24-26H,1,9-10,12-20H2,2-8H3 |
| InChI Key | IIZIVMSICLOQOE-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C32H50O4 |
| Molecular Weight | 498.70 g/mol |
| Exact Mass | 498.37091007 g/mol |
| Topological Polar Surface Area (TPSA) | 52.60 Ų |
| XlogP | 9.20 |
| There are no found synonyms. |
![2D Structure of Methyl 6-[13-(3-methoxy-3-oxopropyl)-4,8-dimethyl-12-prop-1-en-2-yl-5-tetracyclo[7.5.0.01,13.04,8]tetradecanyl]-2-methylhept-2-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/54ceec60-85ed-11ee-9b18-95aa61a627ed.jpg "2D Structure of Methyl 6-[13-(3-methoxy-3-oxopropyl)-4,8-dimethyl-12-prop-1-en-2-yl-5-tetracyclo[7.5.0.01,13.04,8]tetradecanyl]-2-methylhept-2-enoate")
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.24% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.67% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.65% | 94.45% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 95.09% | 97.25% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 92.33% | 95.71% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 91.86% | 94.00% |
| CHEMBL240 | Q12809 | HERG | 91.70% | 89.76% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 91.46% | 100.00% |
| CHEMBL233 | P35372 | Mu opioid receptor | 90.77% | 97.93% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 90.36% | 96.61% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 89.99% | 93.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 89.98% | 91.19% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 89.92% | 96.38% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.69% | 98.95% |
| CHEMBL4005 | P42336 | PI3-kinase p110-alpha subunit | 86.73% | 97.47% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 86.62% | 91.07% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 86.01% | 95.17% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 85.76% | 94.33% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 85.64% | 92.88% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 84.88% | 95.50% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 84.79% | 96.95% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 84.28% | 98.75% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 84.20% | 82.69% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 84.00% | 92.62% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 83.71% | 97.50% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.30% | 90.71% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 83.29% | 91.24% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 83.29% | 95.71% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 82.23% | 93.56% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.58% | 95.89% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 81.57% | 89.50% |
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 81.39% | 94.78% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.37% | 97.09% |
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.
| Tillandsia usneoides |
| PubChem | 73804137 |
| LOTUS | LTS0191717 |
| wikiData | Q105113846 |