(1'R,2R,4R,5'R)-5,7-dihydroxy-2',2'-dimethyl-4-(2-methylpropyl)spiro[3,4-dihydrochromene-2,3'-bicyclo[3.2.0]heptane]-6,8-dicarbaldehyde
| Internal ID | 9c24591a-6053-4ca6-aac7-95109a9b7bc9 |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans |
| IUPAC Name | (1'R,2R,4R,5'R)-5,7-dihydroxy-2',2'-dimethyl-4-(2-methylpropyl)spiro[3,4-dihydrochromene-2,3'-bicyclo[3.2.0]heptane]-6,8-dicarbaldehyde |
| SMILES (Canonical) | CC(C)CC1CC2(CC3CCC3C2(C)C)OC4=C(C(=C(C(=C14)O)C=O)O)C=O |
| SMILES (Isomeric) | CC(C)C[C@@H]1C[C@@]2(C[C@H]3CC[C@H]3C2(C)C)OC4=C(C(=C(C(=C14)O)C=O)O)C=O |
| InChI | InChI=1S/C23H30O5/c1-12(2)7-14-9-23(8-13-5-6-17(13)22(23,3)4)28-21-16(11-25)19(26)15(10-24)20(27)18(14)21/h10-14,17,26-27H,5-9H2,1-4H3/t13-,14-,17-,23-/m1/s1 |
| InChI Key | HJUFKGISWDHSRD-ZHUGDCOOSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H30O5 |
| Molecular Weight | 386.50 g/mol |
| Exact Mass | 386.20932405 g/mol |
| Topological Polar Surface Area (TPSA) | 83.80 Ų |
| XlogP | 5.80 |
| There are no found synonyms. |
![2D Structure of (1'R,2R,4R,5'R)-5,7-dihydroxy-2',2'-dimethyl-4-(2-methylpropyl)spiro[3,4-dihydrochromene-2,3'-bicyclo[3.2.0]heptane]-6,8-dicarbaldehyde](https://plantaedb.com/storage/docs/compounds/2023/11/17b90ba0-861e-11ee-8502-dbf71607d4e8.jpg "2D Structure of (1'R,2R,4R,5'R)-5,7-dihydroxy-2',2'-dimethyl-4-(2-methylpropyl)spiro[3,4-dihydrochromene-2,3'-bicyclo[3.2.0]heptane]-6,8-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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.04% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 94.25% | 97.25% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.02% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.79% | 91.11% |
| CHEMBL1163101 | O75460 | Serine/threonine-protein kinase/endoribonuclease IRE1 | 88.85% | 98.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.20% | 98.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.14% | 97.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.33% | 94.45% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.79% | 100.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 84.62% | 93.56% |
| CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 84.44% | 83.57% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.81% | 89.00% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 83.81% | 100.00% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 83.66% | 96.38% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 83.02% | 94.73% |
| CHEMBL4835 | P00338 | L-lactate dehydrogenase A chain | 82.85% | 95.34% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.70% | 95.89% |
| CHEMBL3830 | Q2M2I8 | Adaptor-associated kinase | 81.28% | 83.10% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.06% | 95.89% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 80.94% | 85.11% |
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 robusta |
| PubChem | 163012435 |
| LOTUS | LTS0090179 |
| wikiData | Q105029458 |