(2S,4R,4aS,7S,8aR)-4-[(2Z)-2-[(4R)-4-hydroxyoxolan-3-ylidene]ethyl]-4a,8,8-trimethyl-3-methylidene-2,4,5,6,7,8a-hexahydro-1H-naphthalene-2,7-diol
| Internal ID | 7b9dc3ea-d994-4271-a88c-4f713533c955 |
| Taxonomy | Organoheterocyclic compounds > Tetrahydrofurans |
| IUPAC Name | (2S,4R,4aS,7S,8aR)-4-[(2Z)-2-[(4R)-4-hydroxyoxolan-3-ylidene]ethyl]-4a,8,8-trimethyl-3-methylidene-2,4,5,6,7,8a-hexahydro-1H-naphthalene-2,7-diol |
| SMILES (Canonical) | CC1(C(CCC2(C1CC(C(=C)C2CC=C3COCC3O)O)C)O)C |
| SMILES (Isomeric) | C[C@]12CC[C@@H](C([C@@H]1C[C@@H](C(=C)[C@@H]2C/C=C\3/COC[C@@H]3O)O)(C)C)O |
| InChI | InChI=1S/C20H32O4/c1-12-14(6-5-13-10-24-11-16(13)22)20(4)8-7-18(23)19(2,3)17(20)9-15(12)21/h5,14-18,21-23H,1,6-11H2,2-4H3/b13-5-/t14-,15-,16-,17-,18-,20+/m0/s1 |
| InChI Key | PQJNKPQZAXZXLP-PMDVJSMPSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H32O4 |
| Molecular Weight | 336.50 g/mol |
| Exact Mass | 336.23005950 g/mol |
| Topological Polar Surface Area (TPSA) | 69.90 Ų |
| XlogP | 1.20 |
| There are no found synonyms. |
![2D Structure of (2S,4R,4aS,7S,8aR)-4-[(2Z)-2-[(4R)-4-hydroxyoxolan-3-ylidene]ethyl]-4a,8,8-trimethyl-3-methylidene-2,4,5,6,7,8a-hexahydro-1H-naphthalene-2,7-diol](https://plantaedb.com/storage/docs/compounds/2023/11/ab7e2c50-85fa-11ee-b6a4-d9ac6d12d992.jpg "2D Structure of (2S,4R,4aS,7S,8aR)-4-[(2Z)-2-[(4R)-4-hydroxyoxolan-3-ylidene]ethyl]-4a,8,8-trimethyl-3-methylidene-2,4,5,6,7,8a-hexahydro-1H-naphthalene-2,7-diol")
| 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 |
|---|---|---|---|---|
| CHEMBL226 | P30542 | Adenosine A1 receptor | 93.59% | 95.93% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 93.41% | 90.17% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.95% | 91.11% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 91.88% | 100.00% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 90.25% | 82.69% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.92% | 97.09% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 89.42% | 83.82% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 87.28% | 85.11% |
| CHEMBL1977 | P11473 | Vitamin D receptor | 86.18% | 99.43% |
| CHEMBL2581 | P07339 | Cathepsin D | 83.77% | 98.95% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.69% | 95.89% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 82.12% | 97.25% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 82.12% | 94.75% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 81.53% | 96.09% |
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.
| Hedychium coronarium |
| PubChem | 163188333 |
| LOTUS | LTS0196622 |
| wikiData | Q105213255 |