12,14,30,32-Tetrahydroxy-4,8,18,22,26-pentamethyl-3,7,17,21,25-pentaoxatricyclo[26.4.0.010,15]dotriaconta-1(28),10(15),11,13,29,31-hexaene-2,6,16,20,24-pentone
| Internal ID | 05ac9051-01fb-477a-b0ac-c233b51d8278 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Pentacarboxylic acids and derivatives |
| IUPAC Name | 12,14,30,32-tetrahydroxy-4,8,18,22,26-pentamethyl-3,7,17,21,25-pentaoxatricyclo[26.4.0.010,15]dotriaconta-1(28),10(15),11,13,29,31-hexaene-2,6,16,20,24-pentone |
| SMILES (Canonical) | CC1CC2=C(C(=CC(=C2)O)O)C(=O)OC(CC(=O)OC(CC3=C(C(=CC(=C3)O)O)C(=O)OC(CC(=O)OC(CC(=O)O1)C)C)C)C |
| SMILES (Isomeric) | CC1CC2=C(C(=CC(=C2)O)O)C(=O)OC(CC(=O)OC(CC3=C(C(=CC(=C3)O)O)C(=O)OC(CC(=O)OC(CC(=O)O1)C)C)C)C |
| InChI | InChI=1S/C32H38O14/c1-15-6-20-11-22(33)13-24(35)29(20)31(40)45-18(4)9-27(38)43-16(2)7-21-12-23(34)14-25(36)30(21)32(41)46-19(5)10-28(39)44-17(3)8-26(37)42-15/h11-19,33-36H,6-10H2,1-5H3 |
| InChI Key | ZIOHDYUFQITWAX-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C32H38O14 |
| Molecular Weight | 646.60 g/mol |
| Exact Mass | 646.22615588 g/mol |
| Topological Polar Surface Area (TPSA) | 212.00 Ų |
| XlogP | 4.90 |
| BE-26263 |
| 12,14,30,32-Tetrahydroxy-4,8,18,22,26-pentamethyl-3,7,17,21,25-pentaoxatricyclo[26.4.0.010,15]dotriaconta-1(28),10(15),11,13,29,31-hexaene-2,6,16,20,24-pentone |
| 7,8,11,12,15,16,23,24,27,28-decahydro-2,4,18,20-tetrahydroxy-7,11,15,23,27-pentamethyl-5H,9H,13H,21H,25H-dibenzo[k,u][1,5,9,15,19]pentaoxacyclotetracosin-5,9,13,21,25-pentone |
| BS-1334 |
![2D Structure of 12,14,30,32-Tetrahydroxy-4,8,18,22,26-pentamethyl-3,7,17,21,25-pentaoxatricyclo[26.4.0.010,15]dotriaconta-1(28),10(15),11,13,29,31-hexaene-2,6,16,20,24-pentone](https://plantaedb.com/storage/docs/compounds/2023/11/ade12d00-8834-11ee-babe-e5cd9b64bb62.jpg "2D Structure of 12,14,30,32-Tetrahydroxy-4,8,18,22,26-pentamethyl-3,7,17,21,25-pentaoxatricyclo[26.4.0.010,15]dotriaconta-1(28),10(15),11,13,29,31-hexaene-2,6,16,20,24-pentone")
| 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 | 97.35% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.29% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.20% | 95.56% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 89.57% | 91.49% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.59% | 94.73% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.54% | 89.00% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 85.44% | 93.40% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.00% | 86.33% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 84.73% | 96.12% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.61% | 99.23% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 83.14% | 95.62% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.40% | 90.71% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 80.16% | 99.17% |
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.
| There are no matching plants. |
| PubChem | 9852477 |
| LOTUS | LTS0080084 |
| wikiData | Q104202436 |