[12]-Cytochalasin
| Internal ID | 9b7e8828-cd63-4234-b476-15fc9398a43e |
| Taxonomy | Phenylpropanoids and polyketides > Macrolide lactams |
| IUPAC Name | (1S,5Z,8S,10E,12S,13S,15R,16S,17S,18S)-18-[(4-hydroxyphenyl)methyl]-6,8,15,16-tetramethyl-2,14-dioxa-19-azatetracyclo[10.8.0.01,17.013,15]icosa-5,10-diene-3,7,20-trione |
| SMILES (Canonical) | CC1CC=CC2C3C(O3)(C(C4C2(C(=O)NC4CC5=CC=C(C=C5)O)OC(=O)CC=C(C1=O)C)C)C |
| SMILES (Isomeric) | C[C@H]1C/C=C/[C@H]2[C@H]3[C@](O3)([C@H]([C@@H]4[C@]2(C(=O)N[C@H]4CC5=CC=C(C=C5)O)OC(=O)C/C=C(\C1=O)/C)C)C |
| InChI | InChI=1S/C28H33NO6/c1-15-6-5-7-20-25-27(4,35-25)17(3)23-21(14-18-9-11-19(30)12-10-18)29-26(33)28(20,23)34-22(31)13-8-16(2)24(15)32/h5,7-12,15,17,20-21,23,25,30H,6,13-14H2,1-4H3,(H,29,33)/b7-5+,16-8-/t15-,17-,20-,21-,23-,25-,27+,28+/m0/s1 |
| InChI Key | MZHSRWPAVDQZKZ-HMGPQLEXSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C28H33NO6 |
| Molecular Weight | 479.60 g/mol |
| Exact Mass | 479.23078777 g/mol |
| Topological Polar Surface Area (TPSA) | 105.00 Ų |
| XlogP | 3.60 |
| There are no found synonyms. |
![2D Structure of [12]-Cytochalasin](https://plantaedb.com/storage/docs/compounds/2023/11/12-cytochalasin.jpg "2D Structure of [12]-Cytochalasin")
| 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 | 98.32% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.81% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.82% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.95% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.94% | 95.56% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 91.76% | 85.14% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 90.95% | 94.73% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.59% | 97.09% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 88.38% | 94.00% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 88.29% | 94.75% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 88.21% | 90.71% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 88.07% | 90.93% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 88.00% | 85.00% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 87.80% | 90.08% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 87.00% | 88.56% |
| CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 86.25% | 89.67% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.38% | 95.89% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.93% | 90.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.84% | 89.00% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 82.71% | 85.11% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 82.34% | 95.89% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.81% | 86.33% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 81.43% | 96.77% |
| CHEMBL3045 | P05771 | Protein kinase C beta | 80.17% | 97.63% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 80.11% | 97.28% |
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 | 44561447 |
| LOTUS | LTS0073667 |
| wikiData | Q104401459 |