2,7,14,15,19,19-Hexamethyl-10-propan-2-yl-21,23-dioxahexacyclo[18.2.1.02,18.03,15.06,14.07,11]tricos-11-en-22-one
| Internal ID | 2df06e0f-8d83-43ab-a809-c169892b02d5 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | 2,7,14,15,19,19-hexamethyl-10-propan-2-yl-21,23-dioxahexacyclo[18.2.1.02,18.03,15.06,14.07,11]tricos-11-en-22-one |
| SMILES (Canonical) | CC(C)C1CCC2(C1=CCC3(C2CCC4C3(CCC5C4(C6C(=O)OC(C5(C)C)O6)C)C)C)C |
| SMILES (Isomeric) | CC(C)C1CCC2(C1=CCC3(C2CCC4C3(CCC5C4(C6C(=O)OC(C5(C)C)O6)C)C)C)C |
| InChI | InChI=1S/C30H46O3/c1-17(2)18-11-14-27(5)19(18)12-15-28(6)21(27)9-10-22-29(28,7)16-13-20-26(3,4)25-32-23(24(31)33-25)30(20,22)8/h12,17-18,20-23,25H,9-11,13-16H2,1-8H3 |
| InChI Key | VORXDCSUUZISOZ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H46O3 |
| Molecular Weight | 454.70 g/mol |
| Exact Mass | 454.34469533 g/mol |
| Topological Polar Surface Area (TPSA) | 35.50 Ų |
| XlogP | 8.70 |
| There are no found synonyms. |
![2D Structure of 2,7,14,15,19,19-Hexamethyl-10-propan-2-yl-21,23-dioxahexacyclo[18.2.1.02,18.03,15.06,14.07,11]tricos-11-en-22-one](https://plantaedb.com/storage/docs/compounds/2023/11/314db4f0-840c-11ee-b670-0fbc49e4d9cf.jpg "2D Structure of 2,7,14,15,19,19-Hexamethyl-10-propan-2-yl-21,23-dioxahexacyclo[18.2.1.02,18.03,15.06,14.07,11]tricos-11-en-22-one")
| 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 |
|---|---|---|---|---|
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.33% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.38% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.30% | 91.11% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 90.19% | 95.89% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.65% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.89% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 88.74% | 97.25% |
| CHEMBL1871 | P10275 | Androgen Receptor | 87.96% | 96.43% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 85.66% | 96.38% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 85.29% | 93.40% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 85.17% | 97.14% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 84.63% | 94.75% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.69% | 97.09% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 82.93% | 93.04% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 82.08% | 82.69% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 81.49% | 90.17% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.37% | 100.00% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 80.36% | 97.79% |
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.
| Swertia petiolata |
| PubChem | 13967204 |
| LOTUS | LTS0098684 |
| wikiData | Q105290389 |