(1R,2R,4aR,5'R,8aR)-5'-(furan-3-yl)-4a-hydroxy-2,5-dimethyl-2,3,4,4a,8,8a-hexahydro-7H-spiro[naphthalene-1,3'-oxolane]-2',7-dione
| Internal ID | aaa951a5-7506-417b-bca6-b53ac025bb59 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones > Diterpene lactones |
| IUPAC Name | (4aR,5'R,7R,8R,8aR)-5'-(furan-3-yl)-4a-hydroxy-4,7-dimethylspiro[5,6,7,8a-tetrahydro-1H-naphthalene-8,3'-oxolane]-2,2'-dione |
| SMILES (Canonical) | CC1CCC2(C(C13CC(OC3=O)C4=COC=C4)CC(=O)C=C2C)O |
| SMILES (Isomeric) | C[C@@H]1CC[C@]2([C@@H]([C@@]13C[C@@H](OC3=O)C4=COC=C4)CC(=O)C=C2C)O |
| InChI | InChI=1S/C19H22O5/c1-11-3-5-19(22)12(2)7-14(20)8-16(19)18(11)9-15(24-17(18)21)13-4-6-23-10-13/h4,6-7,10-11,15-16,22H,3,5,8-9H2,1-2H3/t11-,15-,16-,18-,19+/m1/s1 |
| InChI Key | DLHZVTVUHATYAU-OZJGSQETSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C19H22O5 |
| Molecular Weight | 330.40 g/mol |
| Exact Mass | 330.14672380 g/mol |
| Topological Polar Surface Area (TPSA) | 76.70 Ų |
| XlogP | 1.10 |
| (1R,2R,4aR,5'R,8aR)-5'-(furan-3-yl)-4a-hydroxy-2,5-dimethyl-2,3,4,4a,8,8a-hexahydro-7H-spiro[naphthalene-1,3'-oxolane]-2',7-dione |
![2D Structure of (1R,2R,4aR,5'R,8aR)-5'-(furan-3-yl)-4a-hydroxy-2,5-dimethyl-2,3,4,4a,8,8a-hexahydro-7H-spiro[naphthalene-1,3'-oxolane]-2',7-dione](https://plantaedb.com/storage/docs/compounds/2023/11/bfb797d0-857e-11ee-9ec3-35607f2393b2.jpg "2D Structure of (1R,2R,4aR,5'R,8aR)-5'-(furan-3-yl)-4a-hydroxy-2,5-dimethyl-2,3,4,4a,8,8a-hexahydro-7H-spiro[naphthalene-1,3'-oxolane]-2',7-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 |
|---|---|---|---|---|
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.46% | 97.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.45% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.70% | 91.11% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 89.92% | 94.80% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 89.63% | 100.00% |
| CHEMBL4803 | P29474 | Nitric-oxide synthase, endothelial | 89.53% | 86.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.28% | 89.00% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 86.40% | 97.25% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.24% | 99.23% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.84% | 95.89% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.57% | 86.33% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 80.24% | 85.14% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 80.06% | 91.49% |
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.
| Croton schiedeanus |
| PubChem | 11759299 |
| LOTUS | LTS0235356 |
| wikiData | Q82873494 |