13,23-Dihydroxy-9-(hydroxymethyl)-9,19,23,25-tetramethyl-4,8,16,21,28-pentaoxaoctacyclo[13.12.1.115,22.01,13.03,7.03,10.017,22.025,29]nonacos-18-ene-5,14,20,24-tetrone
| Internal ID | 0775ecb6-9408-4c9b-ad3b-88480c82a859 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Eicosanoids > Prostaglandins and related compounds |
| IUPAC Name | 13,23-dihydroxy-9-(hydroxymethyl)-9,19,23,25-tetramethyl-4,8,16,21,28-pentaoxaoctacyclo[13.12.1.115,22.01,13.03,7.03,10.017,22.025,29]nonacos-18-ene-5,14,20,24-tetrone |
| SMILES (Canonical) | CC1=CC2C3(C4C(CCC56CC78C(CCC5(C(=O)C4(O2)O6)O)C(OC7CC(=O)O8)(C)CO)(C(=O)C3(C)O)C)OC1=O |
| SMILES (Isomeric) | CC1=CC2C3(C4C(CCC56CC78C(CCC5(C(=O)C4(O2)O6)O)C(OC7CC(=O)O8)(C)CO)(C(=O)C3(C)O)C)OC1=O |
| InChI | InChI=1S/C29H34O12/c1-13-9-16-28(40-18(13)32)19-22(2,20(33)24(28,4)35)7-8-25-11-26-14(23(3,12-30)37-15(26)10-17(31)39-26)5-6-27(25,36)21(34)29(19,38-16)41-25/h9,14-16,19,30,35-36H,5-8,10-12H2,1-4H3 |
| InChI Key | ASWJDAOUCRGFEP-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C29H34O12 |
| Molecular Weight | 574.60 g/mol |
| Exact Mass | 574.20502652 g/mol |
| Topological Polar Surface Area (TPSA) | 175.00 Ų |
| XlogP | -1.30 |
| There are no found synonyms. |
![2D Structure of 13,23-Dihydroxy-9-(hydroxymethyl)-9,19,23,25-tetramethyl-4,8,16,21,28-pentaoxaoctacyclo[13.12.1.115,22.01,13.03,7.03,10.017,22.025,29]nonacos-18-ene-5,14,20,24-tetrone](https://plantaedb.com/storage/docs/compounds/2023/11/fe1453f0-8594-11ee-8901-8bf2b8303c6a.jpg "2D Structure of 13,23-Dihydroxy-9-(hydroxymethyl)-9,19,23,25-tetramethyl-4,8,16,21,28-pentaoxaoctacyclo[13.12.1.115,22.01,13.03,7.03,10.017,22.025,29]nonacos-18-ene-5,14,20,24-tetrone")
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 92.88% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.59% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.15% | 95.56% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 91.44% | 85.14% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 90.46% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.60% | 96.09% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 86.45% | 94.75% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 86.39% | 97.14% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.88% | 99.23% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.34% | 97.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.42% | 95.89% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.13% | 86.33% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 83.25% | 94.80% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 82.80% | 96.61% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.85% | 100.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 81.05% | 94.00% |
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 propinqua |
| PubChem | 75254135 |
| LOTUS | LTS0204963 |
| wikiData | Q104918143 |