2',3',16-Trihydroxy-2',7,9,13-tetramethyl-3'-propan-2-ylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,5'-oxolane]-20-one
| Internal ID | 4989626e-cd46-4370-8ebb-e12245c851f5 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | 2',3',16-trihydroxy-2',7,9,13-tetramethyl-3'-propan-2-ylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,5'-oxolane]-20-one |
| SMILES (Canonical) | CC1C2C(CC3C2(CCC4C3C(=O)CC5C4(CCC(C5)O)C)C)OC16CC(C(O6)(C)O)(C(C)C)O |
| SMILES (Isomeric) | CC1C2C(CC3C2(CCC4C3C(=O)CC5C4(CCC(C5)O)C)C)OC16CC(C(O6)(C)O)(C(C)C)O |
| InChI | InChI=1S/C29H46O6/c1-15(2)28(33)14-29(35-27(28,6)32)16(3)24-22(34-29)13-20-23-19(8-10-26(20,24)5)25(4)9-7-18(30)11-17(25)12-21(23)31/h15-20,22-24,30,32-33H,7-14H2,1-6H3 |
| InChI Key | XQZFXRHLMVBGSW-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C29H46O6 |
| Molecular Weight | 490.70 g/mol |
| Exact Mass | 490.32943918 g/mol |
| Topological Polar Surface Area (TPSA) | 96.20 Ų |
| XlogP | 3.90 |
| There are no found synonyms. |
![2D Structure of 2',3',16-Trihydroxy-2',7,9,13-tetramethyl-3'-propan-2-ylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,5'-oxolane]-20-one](https://plantaedb.com/storage/docs/compounds/2023/11/36589d30-85df-11ee-b2ac-97f5a28ef16a.jpg "2D Structure of 2',3',16-Trihydroxy-2',7,9,13-tetramethyl-3'-propan-2-ylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,5'-oxolane]-20-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 |
|---|---|---|---|---|
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 92.84% | 96.61% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 91.55% | 97.25% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 91.51% | 96.77% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.79% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.70% | 94.45% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 89.14% | 82.69% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 88.92% | 90.17% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.63% | 95.89% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 88.08% | 91.11% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.43% | 100.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.98% | 95.56% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 86.73% | 90.71% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.68% | 89.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.48% | 97.09% |
| CHEMBL238 | Q01959 | Dopamine transporter | 84.43% | 95.88% |
| CHEMBL4072 | P07858 | Cathepsin B | 83.20% | 93.67% |
| CHEMBL4803 | P29474 | Nitric-oxide synthase, endothelial | 83.16% | 86.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 82.96% | 98.95% |
| CHEMBL1871 | P10275 | Androgen Receptor | 82.60% | 96.43% |
| CHEMBL204 | P00734 | Thrombin | 82.22% | 96.01% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 82.11% | 95.71% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 81.65% | 92.88% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 81.45% | 96.90% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.02% | 97.14% |
| CHEMBL3137261 | O14744 | PRMT5/MEP50 complex | 80.96% | 100.00% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 80.20% | 100.00% |
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.
| Linzia glabra |
| PubChem | 85089757 |
| LOTUS | LTS0130864 |
| wikiData | Q105003916 |