9-Hydroxy-6,10,14,15,22-pentamethyl-21-methylidene-3,24-dioxaheptacyclo[16.5.2.01,15.02,4.05,14.06,11.018,23]pentacos-9-ene-8,25-dione
| Internal ID | 45b0e4cc-e440-4444-a739-2d13e8dfbdaf |
| Taxonomy | Organoheterocyclic compounds > Lactones > Gamma butyrolactones |
| IUPAC Name | 9-hydroxy-6,10,14,15,22-pentamethyl-21-methylidene-3,24-dioxaheptacyclo[16.5.2.01,15.02,4.05,14.06,11.018,23]pentacos-9-ene-8,25-dione |
| SMILES (Canonical) | CC1C2C3(CCC1=C)CCC4(C2(C5C(O5)C6C4(CCC7C6(CC(=O)C(=C7C)O)C)C)OC3=O)C |
| SMILES (Isomeric) | CC1C2C3(CCC1=C)CCC4(C2(C5C(O5)C6C4(CCC7C6(CC(=O)C(=C7C)O)C)C)OC3=O)C |
| InChI | InChI=1S/C29H38O5/c1-14-7-10-28-12-11-27(6)26(5)9-8-17-16(3)19(31)18(30)13-25(17,4)22(26)20-23(33-20)29(27,34-24(28)32)21(28)15(14)2/h15,17,20-23,31H,1,7-13H2,2-6H3 |
| InChI Key | DXNXAKSJOVZGFH-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C29H38O5 |
| Molecular Weight | 466.60 g/mol |
| Exact Mass | 466.27192431 g/mol |
| Topological Polar Surface Area (TPSA) | 76.10 Ų |
| XlogP | 4.20 |
| There are no found synonyms. |
![2D Structure of 9-Hydroxy-6,10,14,15,22-pentamethyl-21-methylidene-3,24-dioxaheptacyclo[16.5.2.01,15.02,4.05,14.06,11.018,23]pentacos-9-ene-8,25-dione](https://plantaedb.com/storage/docs/compounds/2023/11/e007afc0-854e-11ee-ba97-ed6c6bfd4255.jpg "2D Structure of 9-Hydroxy-6,10,14,15,22-pentamethyl-21-methylidene-3,24-dioxaheptacyclo[16.5.2.01,15.02,4.05,14.06,11.018,23]pentacos-9-ene-8,25-dione")
| 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 |
|---|---|---|---|---|
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 93.95% | 93.04% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.82% | 91.11% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 93.39% | 92.94% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 89.60% | 96.38% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 89.05% | 97.25% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.43% | 95.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.75% | 99.23% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.28% | 95.89% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.30% | 89.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 84.58% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 83.73% | 96.09% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 83.38% | 93.40% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 83.30% | 96.21% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.09% | 97.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.88% | 86.33% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 82.27% | 85.14% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 82.27% | 82.69% |
| CHEMBL2140 | P48775 | Tryptophan 2,3-dioxygenase | 82.03% | 98.46% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 81.80% | 85.11% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 81.61% | 91.07% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.57% | 90.71% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 81.56% | 95.38% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 81.18% | 94.00% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 80.94% | 93.00% |
| CHEMBL3286 | P00749 | Urokinase-type plasminogen activator | 80.78% | 97.88% |
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.
| Isodon adenanthus |
| PubChem | 162891644 |
| LOTUS | LTS0209202 |
| wikiData | Q104991089 |