15,17-Dihydroxy-3,3,7,11-tetramethyl-19-(2-methylpropyl)-12-oxatetracyclo[9.8.0.02,4.013,18]nonadeca-7,13,15,17-tetraene-14,16-dicarbaldehyde
| Internal ID | 26185892-73f2-4e2a-8ff3-39595b2b7004 |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans |
| IUPAC Name | 15,17-dihydroxy-3,3,7,11-tetramethyl-19-(2-methylpropyl)-12-oxatetracyclo[9.8.0.02,4.013,18]nonadeca-7,13,15,17-tetraene-14,16-dicarbaldehyde |
| SMILES (Canonical) | CC1=CCCC2(C(C(C3=C(C(=C(C(=C3O2)C=O)O)C=O)O)CC(C)C)C4C(C4(C)C)CC1)C |
| SMILES (Isomeric) | CC1=CCCC2(C(C(C3=C(C(=C(C(=C3O2)C=O)O)C=O)O)CC(C)C)C4C(C4(C)C)CC1)C |
| InChI | InChI=1S/C28H38O5/c1-15(2)12-17-21-25(32)18(13-29)24(31)19(14-30)26(21)33-28(6)11-7-8-16(3)9-10-20-23(22(17)28)27(20,4)5/h8,13-15,17,20,22-23,31-32H,7,9-12H2,1-6H3 |
| InChI Key | XJFLMCYKZVYATJ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C28H38O5 |
| Molecular Weight | 454.60 g/mol |
| Exact Mass | 454.27192431 g/mol |
| Topological Polar Surface Area (TPSA) | 83.80 Ų |
| XlogP | 6.90 |
| There are no found synonyms. |
![2D Structure of 15,17-Dihydroxy-3,3,7,11-tetramethyl-19-(2-methylpropyl)-12-oxatetracyclo[9.8.0.02,4.013,18]nonadeca-7,13,15,17-tetraene-14,16-dicarbaldehyde](https://plantaedb.com/storage/docs/compounds/2023/11/c0203110-857f-11ee-a3d4-3503a2e003cc.jpg "2D Structure of 15,17-Dihydroxy-3,3,7,11-tetramethyl-19-(2-methylpropyl)-12-oxatetracyclo[9.8.0.02,4.013,18]nonadeca-7,13,15,17-tetraene-14,16-dicarbaldehyde")
| 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 |
|---|---|---|---|---|
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.43% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.13% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 94.65% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.36% | 91.11% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 91.35% | 100.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.54% | 97.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.39% | 98.95% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.06% | 95.89% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.54% | 89.00% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 87.54% | 96.38% |
| CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 87.35% | 89.67% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 87.11% | 95.89% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 86.17% | 100.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.37% | 86.33% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 84.99% | 93.56% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.63% | 90.71% |
| CHEMBL3830 | Q2M2I8 | Adaptor-associated kinase | 83.95% | 83.10% |
| CHEMBL1163101 | O75460 | Serine/threonine-protein kinase/endoribonuclease IRE1 | 83.72% | 98.11% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 83.60% | 89.05% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 83.55% | 94.73% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 83.38% | 93.03% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 81.87% | 93.99% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 80.57% | 98.75% |
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.
| Eucalyptus globulus |
| PubChem | 73819908 |
| LOTUS | LTS0195216 |
| wikiData | Q105328919 |