Methyl 5',9'-dimethyl-15'-(2-methylbut-2-enoyloxy)spiro[oxirane-2,14'-tetracyclo[11.2.1.01,10.04,9]hexadecane]-5'-carboxylate
| Internal ID | fd4fd685-1eb2-4651-8c49-65ee4ad7b37c |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Kaurane diterpenoids |
| IUPAC Name | methyl 5',9'-dimethyl-15'-(2-methylbut-2-enoyloxy)spiro[oxirane-2,14'-tetracyclo[11.2.1.01,10.04,9]hexadecane]-5'-carboxylate |
| SMILES (Canonical) | CC=C(C)C(=O)OC1C23CCC4C(C2CCC(C3)C15CO5)(CCCC4(C)C(=O)OC)C |
| SMILES (Isomeric) | CC=C(C)C(=O)OC1C23CCC4C(C2CCC(C3)C15CO5)(CCCC4(C)C(=O)OC)C |
| InChI | InChI=1S/C26H38O5/c1-6-16(2)20(27)31-21-25-13-10-18-23(3,11-7-12-24(18,4)22(28)29-5)19(25)9-8-17(14-25)26(21)15-30-26/h6,17-19,21H,7-15H2,1-5H3 |
| InChI Key | CGNRSXHCMQZVBZ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C26H38O5 |
| Molecular Weight | 430.60 g/mol |
| Exact Mass | 430.27192431 g/mol |
| Topological Polar Surface Area (TPSA) | 65.10 Ų |
| XlogP | 5.30 |
| There are no found synonyms. |
![2D Structure of Methyl 5',9'-dimethyl-15'-(2-methylbut-2-enoyloxy)spiro[oxirane-2,14'-tetracyclo[11.2.1.01,10.04,9]hexadecane]-5'-carboxylate](https://plantaedb.com/storage/docs/compounds/2023/11/f62b4160-8722-11ee-b06a-8d0c0b3d886c.jpg "2D Structure of Methyl 5',9'-dimethyl-15'-(2-methylbut-2-enoyloxy)spiro[oxirane-2,14'-tetracyclo[11.2.1.01,10.04,9]hexadecane]-5'-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.87% | 91.11% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 94.87% | 96.38% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.38% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.04% | 96.09% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 92.05% | 91.07% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 89.99% | 91.19% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 89.16% | 97.25% |
| CHEMBL1293277 | O15118 | Niemann-Pick C1 protein | 88.97% | 81.11% |
| CHEMBL1907601 | P11802 | Cyclin-dependent kinase 4/cyclin D1 | 88.26% | 98.99% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.87% | 95.89% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 87.31% | 95.71% |
| CHEMBL2096618 | P11274 | Bcr/Abl fusion protein | 87.13% | 85.83% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 85.93% | 94.33% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 85.60% | 92.62% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 85.08% | 96.77% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 83.43% | 89.50% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 82.56% | 91.24% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 82.37% | 100.00% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 82.16% | 82.69% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 82.02% | 95.38% |
| CHEMBL233 | P35372 | Mu opioid receptor | 81.88% | 97.93% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 81.88% | 95.50% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 81.40% | 91.03% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.06% | 95.56% |
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.
| Aspilia foliosa |
| PubChem | 162852618 |
| LOTUS | LTS0240455 |
| wikiData | Q104957949 |