Neolinderan
| Internal ID | e46e9bd3-4f1c-4a89-85b1-bac45b4bf037 |
| Taxonomy | Organoheterocyclic compounds > Dihydrofurans > Furanones > Butenolides |
| IUPAC Name | 3,8-dimethyl-5,9,15-trioxatetracyclo[11.2.1.02,6.08,10]hexadeca-2(6),3,13(16)-trien-14-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C15H16O4/c1-8-7-17-11-6-15(2)12(19-15)4-3-9-5-10(13(8)11)18-14(9)16/h5,7,10,12H,3-4,6H2,1-2H3 |
| InChI Key | NJMLHRWYACXVHJ-UHFFFAOYSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C15H16O4 |
| Molecular Weight | 260.28 g/mol |
| Exact Mass | 260.10485899 g/mol |
| Topological Polar Surface Area (TPSA) | 52.00 Ų |
| XlogP | 2.00 |
| Neolinderane |
| NJMLHRWYACXVHJ-UHFFFAOYSA-N |
| (1aS,7R,11aS)-1a,2,3,7,11,11a-Hexahydro-8,11a-dimethyl-5H-7,4-methenofuro[3,2-c]oxireno[f]oxacycloundecin-5-one |
| 10.beta.H-Germacra-4,7,11-trien-15-oic acid, 1.beta.,10:8,12-diepoxy-6.alpha.-hydroxy-, .gamma.-lactone |
| 5H-7,4-Methenofuro[3,2-c]oxireno[f]oxacycloundecin-5-one, 1a,2,3,7,11,11a-hexahydro-8,11a-dimethyl-, [1aR-(1aR*,7R*,11aR*)]- |
| 5H-7,4-Methenofuro[3,2-c]oxireno[f]oxacycloundecin-5-one, 1a,2,3,7,11,11a-hexahydro-8,11a-dimethyl-, [1aR-(1aR,7R,11aR)]- |
| 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 | 94.74% | 95.56% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 88.82% | 83.82% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.96% | 89.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.30% | 97.09% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.37% | 99.23% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 86.21% | 91.11% |
| CHEMBL4835 | P00338 | L-lactate dehydrogenase A chain | 85.72% | 95.34% |
| CHEMBL2581 | P07339 | Cathepsin D | 83.21% | 98.95% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 82.99% | 97.14% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.49% | 86.33% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 81.25% | 93.04% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 80.31% | 93.03% |
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.
| Lindera chunii |
| Neolitsea cassia |
| Neolitsea hiiranensis |
| Neolitsea villosa |
| PubChem | 595425 |
| LOTUS | LTS0133064 |
| wikiData | Q105180208 |