(3R,3aR,4aS,5R,9aS)-3,5,8-Trimethyl-3a,4,4a,5,6,7,9,9a-octahydroazuleno[6,5-b]furan-2(3H)-one
| Internal ID | 9f73d212-ffb5-46da-ac88-327ac617924e |
| Taxonomy | Organoheterocyclic compounds > Lactones > Gamma butyrolactones |
| IUPAC Name | 1,5,8-trimethyl-3a,4,6,7,8,8a,9,9a-octahydro-1H-azuleno[6,5-b]furan-2-one |
| SMILES (Canonical) | CC1CCC2=C(CC3C(CC12)C(C(=O)O3)C)C |
| SMILES (Isomeric) | CC1CCC2=C(CC3C(CC12)C(C(=O)O3)C)C |
| InChI | InChI=1S/C15H22O2/c1-8-4-5-11-9(2)6-14-13(7-12(8)11)10(3)15(16)17-14/h8,10,12-14H,4-7H2,1-3H3 |
| InChI Key | LGGWYHIMEGQREQ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H22O2 |
| Molecular Weight | 234.33 g/mol |
| Exact Mass | 234.161979940 g/mol |
| Topological Polar Surface Area (TPSA) | 26.30 Ų |
| XlogP | 2.90 |
| LGGWYHIMEGQREQ-UHFFFAOYSA-N |
| (3R,3aR,4aS,5R,9aS)-3,5,8-Trimethyl-3a,4,4a,5,6,7,9,9a-octahydroazuleno[6,5-b]furan-2(3H)-one |
| Azuleno[6,5-b]furan-2(3H)-one, 3a,4,4a,5,6,7,9,9a-octahydro-3,5,8-trimethyl-, (3R,3aR,4aS,5R,9aS)- |
| Azuleno[6,5-b]furan-2(3H)-one, 3a,4,4a,5,6,7,9,9a-octahydro-3,5,8-trimethyl-, [3R-(3.alpha.,3a.alpha.,4a.alpha.,5.alpha.,9a.beta.)]- |
![2D Structure of (3R,3aR,4aS,5R,9aS)-3,5,8-Trimethyl-3a,4,4a,5,6,7,9,9a-octahydroazuleno[6,5-b]furan-2(3H)-one](https://plantaedb.com/storage/docs/compounds/2023/11/3r3ar4as5r9as-358-trimethyl-3a44a56799a-octahydroazuleno65-bfuran-23h-one.jpg "2D Structure of (3R,3aR,4aS,5R,9aS)-3,5,8-Trimethyl-3a,4,4a,5,6,7,9,9a-octahydroazuleno[6,5-b]furan-2(3H)-one")
| 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 |
|---|---|---|---|---|
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 92.52% | 94.80% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.17% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.75% | 97.09% |
| CHEMBL4803 | P29474 | Nitric-oxide synthase, endothelial | 87.06% | 86.00% |
| CHEMBL3231 | Q13464 | Rho-associated protein kinase 1 | 86.41% | 95.55% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 84.70% | 91.11% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.34% | 100.00% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 81.97% | 93.40% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 81.58% | 85.14% |
| CHEMBL1871 | P10275 | Androgen Receptor | 80.31% | 96.43% |
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.
| Callitris columellaris |
| PubChem | 91711340 |
| LOTUS | LTS0196542 |
| wikiData | Q105151349 |