Curtachalasin O
| Internal ID | da7ecc65-018c-41b6-88a3-604cc1fcfc4d |
| Taxonomy | Organoheterocyclic compounds > Isoindoles and derivatives > Isoindolines > Isoindolones |
| IUPAC Name | [(1R,2R,3S,4R,5S,6S,8S,14R,15S)-5-acetyl-15-benzyl-4,5-dihydroxy-6,12,13-trimethyl-11,17-dioxo-16-azatetracyclo[8.7.0.01,14.03,8]heptadeca-9,12-dien-2-yl] acetate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C30H35NO7/c1-14-11-20-13-21-25(34)16(3)15(2)24-22(12-19-9-7-6-8-10-19)31-28(36)29(21,24)27(38-18(5)33)23(20)26(35)30(14,37)17(4)32/h6-10,13-14,20,22-24,26-27,35,37H,11-12H2,1-5H3,(H,31,36)/t14-,20-,22-,23-,24-,26+,27+,29-,30+/m0/s1 |
| InChI Key | NZCTUXDSROTKOV-RSPPTQNKSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C30H35NO7 |
| Molecular Weight | 521.60 g/mol |
| Exact Mass | 521.24135246 g/mol |
| Topological Polar Surface Area (TPSA) | 130.00 Ų |
| XlogP | 1.90 |
| There are no found synonyms. |
| 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 | 98.78% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.57% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.77% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.24% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 94.44% | 85.14% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.03% | 94.45% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 89.92% | 95.50% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.74% | 97.09% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 87.20% | 94.00% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 85.66% | 97.64% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 84.82% | 93.00% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 84.42% | 96.95% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 83.91% | 91.19% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 83.55% | 94.62% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 81.99% | 90.17% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.72% | 90.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 80.08% | 98.75% |
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 | 146682279 |
| LOTUS | LTS0167263 |
| wikiData | Q105187829 |