21-(Hydroxymethyl)-15,17,22,24-tetraoxahexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(14),2,4,6,8,10,12-heptaene-4,5,10,11,19,20-hexol
| Internal ID | 8f7a4c4c-09a2-4cf3-8f2d-6e731c2f84f2 |
| Taxonomy | Benzenoids > Phenanthrenes and derivatives > Phenanthrols |
| IUPAC Name | 21-(hydroxymethyl)-15,17,22,24-tetraoxahexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(14),2,4,6,8,10,12-heptaene-4,5,10,11,19,20-hexol |
| SMILES (Canonical) | C1C2C(OC3C(C(C(OC3O2)CO)O)O)OC4=C1C5=CC(=C(C=C5C6=CC(=C(C=C64)O)O)O)O |
| SMILES (Isomeric) | C1C2C(OC3C(C(C(OC3O2)CO)O)O)OC4=C1C5=CC(=C(C=C5C6=CC(=C(C=C64)O)O)O)O |
| InChI | InChI=1S/C23H22O11/c24-6-17-18(29)19(30)21-23(32-17)31-16-5-11-9-3-13(26)12(25)1-7(9)8-2-14(27)15(28)4-10(8)20(11)33-22(16)34-21/h1-4,16-19,21-30H,5-6H2 |
| InChI Key | IKHABJNFSWRYBF-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H22O11 |
| Molecular Weight | 474.40 g/mol |
| Exact Mass | 474.11621151 g/mol |
| Topological Polar Surface Area (TPSA) | 179.00 Ų |
| XlogP | 1.30 |
| There are no found synonyms. |
![2D Structure of 21-(Hydroxymethyl)-15,17,22,24-tetraoxahexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(14),2,4,6,8,10,12-heptaene-4,5,10,11,19,20-hexol](https://plantaedb.com/storage/docs/compounds/2023/11/1b9d68c0-8536-11ee-8d9d-132e73d91abf.jpg "2D Structure of 21-(Hydroxymethyl)-15,17,22,24-tetraoxahexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(14),2,4,6,8,10,12-heptaene-4,5,10,11,19,20-hexol")
| 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 | 99.42% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.54% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.37% | 94.45% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 87.44% | 91.49% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.63% | 97.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.84% | 89.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 81.28% | 94.73% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 81.27% | 92.94% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 80.75% | 95.56% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.07% | 100.00% |
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.
| Curculigo breviscapa |
| Curculigo sinensis |
| PubChem | 162893142 |
| LOTUS | LTS0094136 |
| wikiData | Q105114606 |