Tramspiroin D
| Internal ID | d30235f1-46ae-4b77-8815-b740d7bcd2d1 |
| Taxonomy | Organoheterocyclic compounds > Benzofurans |
| IUPAC Name | (1'S,3R,3aS,5'R,6R,7R,7aR)-1',3,6-trimethylspiro[3,3a,4,5,6,7a-hexahydro-1-benzofuran-7,4'-6-oxabicyclo[3.1.0]hexane]-2-one |
| SMILES (Canonical) | CC1CCC2C(C(=O)OC2C13CCC4(C3O4)C)C |
| SMILES (Isomeric) | C[C@@H]1CC[C@H]2[C@H](C(=O)O[C@H]2[C@@]13CC[C@]4([C@@H]3O4)C)C |
| InChI | InChI=1S/C15H22O3/c1-8-4-5-10-9(2)12(16)17-11(10)15(8)7-6-14(3)13(15)18-14/h8-11,13H,4-7H2,1-3H3/t8-,9-,10+,11-,13+,14+,15-/m1/s1 |
| InChI Key | VNPCXLHQLYERBY-BDUPTMPASA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C15H22O3 |
| Molecular Weight | 250.33 g/mol |
| Exact Mass | 250.15689456 g/mol |
| Topological Polar Surface Area (TPSA) | 38.80 Ų |
| XlogP | 2.70 |
| There are no found synonyms. |
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.65% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.26% | 97.09% |
| CHEMBL301 | P24941 | Cyclin-dependent kinase 2 | 85.81% | 91.23% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.41% | 100.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.12% | 95.56% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 84.72% | 94.80% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 84.34% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 84.15% | 97.25% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 83.66% | 93.04% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 83.28% | 97.05% |
| CHEMBL1871 | P10275 | Androgen Receptor | 82.67% | 96.43% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.30% | 97.14% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 80.20% | 94.75% |
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.
| There are no matching plants. |
| PubChem | 139586879 |
| LOTUS | LTS0055390 |
| wikiData | Q77516699 |