4,10,12,14,16-Pentahydroxy-3,7,9,11,13,15,17,25-octamethyl-23-azatricyclo[22.3.1.05,27]octacosa-1(27),2,4,7,18,20,24-heptaene-6,22,26,28-tetrone
| Internal ID | a63c97f8-17e2-4c00-ba8c-e81b0432874a |
| Taxonomy | Phenylpropanoids and polyketides > Macrolactams |
| IUPAC Name | 4,10,12,14,16-pentahydroxy-3,7,9,11,13,15,17,25-octamethyl-23-azatricyclo[22.3.1.05,27]octacosa-1(27),2,4,7,18,20,24-heptaene-6,22,26,28-tetrone |
| SMILES (Canonical) | CC1C=CC=CC(=O)NC2=C(C(=O)C3=C(C2=O)C=C(C(=C3C(=O)C(=CC(C(C(C(C(C(C(C1O)C)O)C)O)C)O)C)C)O)C)C |
| SMILES (Isomeric) | CC1C=CC=CC(=O)NC2=C(C(=O)C3=C(C2=O)C=C(C(=C3C(=O)C(=CC(C(C(C(C(C(C(C1O)C)O)C)O)C)O)C)C)O)C)C |
| InChI | InChI=1S/C35H45NO9/c1-15-11-9-10-12-24(37)36-27-19(5)34(44)25-23(35(27)45)14-18(4)31(41)26(25)30(40)17(3)13-16(2)29(39)21(7)33(43)22(8)32(42)20(6)28(15)38/h9-16,20-22,28-29,32-33,38-39,41-43H,1-8H3,(H,36,37) |
| InChI Key | YIELQFCSZNNHLS-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C35H45NO9 |
| Molecular Weight | 623.70 g/mol |
| Exact Mass | 623.30943201 g/mol |
| Topological Polar Surface Area (TPSA) | 182.00 Ų |
| XlogP | 4.60 |
| There are no found synonyms. |
![2D Structure of 4,10,12,14,16-Pentahydroxy-3,7,9,11,13,15,17,25-octamethyl-23-azatricyclo[22.3.1.05,27]octacosa-1(27),2,4,7,18,20,24-heptaene-6,22,26,28-tetrone](https://plantaedb.com/storage/docs/compounds/2023/11/cc67b500-85be-11ee-af5a-c11656116000.jpg "2D Structure of 4,10,12,14,16-Pentahydroxy-3,7,9,11,13,15,17,25-octamethyl-23-azatricyclo[22.3.1.05,27]octacosa-1(27),2,4,7,18,20,24-heptaene-6,22,26,28-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.25% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.98% | 98.95% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 95.18% | 94.75% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.85% | 89.00% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 92.57% | 93.03% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.70% | 95.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 90.91% | 99.23% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 90.82% | 96.21% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 90.81% | 91.49% |
| CHEMBL4361 | Q07820 | Induced myeloid leukemia cell differentiation protein Mcl-1 | 89.89% | 95.52% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 86.56% | 90.71% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.03% | 100.00% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 83.62% | 91.71% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.14% | 94.00% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 83.07% | 85.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 82.80% | 96.09% |
| CHEMBL4530 | P00488 | Coagulation factor XIII | 81.49% | 96.00% |
| CHEMBL325 | Q13547 | Histone deacetylase 1 | 80.93% | 95.92% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.75% | 90.00% |
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.
| There are no matching plants. |
| PubChem | 76017601 |
| LOTUS | LTS0056006 |
| wikiData | Q104201732 |