Sphenasin A
| Internal ID | 70ffe0b9-2462-4cca-9a86-5db1d450f05f |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Steroid lactones |
| IUPAC Name | (1S,4R,5R,6R,11R,13S,14S,15S,17R,22S)-15-hydroxy-4,6,13,18,18-pentamethyl-10-oxahexacyclo[12.9.0.01,22.04,13.05,11.017,22]tricos-20-ene-9,19-dione |
| SMILES (Canonical) | CC1CCC(=O)OC2C1C3(CCC45CC46C=CC(=O)C(C6CC(C5C3(C2)C)O)(C)C)C |
| SMILES (Isomeric) | C[C@@H]1CCC(=O)O[C@H]2[C@H]1[C@]3(CC[C@@]45C[C@@]46C=CC(=O)C([C@@H]6C[C@@H]([C@H]5[C@@]3(C2)C)O)(C)C)C |
| InChI | InChI=1S/C27H38O4/c1-15-6-7-20(30)31-17-13-25(5)22-16(28)12-18-23(2,3)19(29)8-9-26(18)14-27(22,26)11-10-24(25,4)21(15)17/h8-9,15-18,21-22,28H,6-7,10-14H2,1-5H3/t15-,16+,17-,18+,21+,22+,24-,25+,26-,27+/m1/s1 |
| InChI Key | JTYFNPPXDSFFCZ-CBGIEGCTSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C27H38O4 |
| Molecular Weight | 426.60 g/mol |
| Exact Mass | 426.27700969 g/mol |
| Topological Polar Surface Area (TPSA) | 63.60 Ų |
| XlogP | 5.10 |
| (1S,4R,5R,6R,11R,13S,14S,15S,17R,22S)-15-hydroxy-4,6,13,18,18-pentamethyl-10-oxahexacyclo[12.9.0.01,22.04,13.05,11.017,22]tricos-20-ene-9,19-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.58% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 93.41% | 97.25% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 92.22% | 100.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.16% | 97.09% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.23% | 96.09% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 91.23% | 82.69% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.28% | 95.56% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 88.03% | 85.14% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 86.23% | 96.77% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.13% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.53% | 86.33% |
| CHEMBL1871 | P10275 | Androgen Receptor | 82.21% | 96.43% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.04% | 99.23% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.14% | 94.45% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 80.09% | 92.94% |
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.
| Schisandra sphenanthera |
| PubChem | 25180763 |
| LOTUS | LTS0153071 |
| wikiData | Q105135077 |