18-Dehydroxycytochalasin H
| Internal ID | 2fe9a455-4b07-44a4-9ebe-a8d759147d0b |
| Taxonomy | Organoheterocyclic compounds > Isoindoles and derivatives > Isoindoles |
| IUPAC Name | [(3E,9E)-16-benzyl-12-hydroxy-5,7,14-trimethyl-13-methylidene-18-oxo-17-azatricyclo[9.7.0.01,15]octadeca-3,9-dien-2-yl] acetate |
| SMILES (Canonical) | CC1CC=CC2C(C(=C)C(C3C2(C(C=CC(C1)C)OC(=O)C)C(=O)NC3CC4=CC=CC=C4)C)O |
| SMILES (Isomeric) | CC1C/C=C/C2C(C(=C)C(C3C2(C(/C=C/C(C1)C)OC(=O)C)C(=O)NC3CC4=CC=CC=C4)C)O |
| InChI | InChI=1S/C30H39NO4/c1-18-10-9-13-24-28(33)21(4)20(3)27-25(17-23-11-7-6-8-12-23)31-29(34)30(24,27)26(35-22(5)32)15-14-19(2)16-18/h6-9,11-15,18-20,24-28,33H,4,10,16-17H2,1-3,5H3,(H,31,34)/b13-9+,15-14+ |
| InChI Key | JVHIPYJQMFNCEK-BBXOWAOSSA-N |
| Popularity | 5 references in papers |
| Molecular Formula | C30H39NO4 |
| Molecular Weight | 477.60 g/mol |
| Exact Mass | 477.28790873 g/mol |
| Topological Polar Surface Area (TPSA) | 75.60 Ų |
| XlogP | 4.80 |
| 141994-72-1 |
| L-696474 |
| L-696,474 |
| DTXSID701018077 |
| 1H-Cycloundec(d)isoindol-1-one, 15-(acetyloxy)-2,3,3a,4,5,6,6a,9,10,11,12,15-dodecahydro-6-hydroxy-4,10,12-trimethyl-5-methylene-3-(phenylmethyl)-, (3R*,3aS*,4R*,6R*,6aS*,7E,10R*,12R*,13E,15S*,15aS*)- |
| RefChem:908268 |
| DTXCID701476304 |
| [(3E,9E)-16-Benzyl-12-hydroxy-5,7,14-trimethyl-13-methylidene-18-oxo-17-azatricyclo[9.7.0.01,15]octadeca-3,9-dien-2-yl] acetate |
| L 696474 |
| SCHEMBL15531832 |
| There are more than 10 synonyms. If you wish to see them all click here. |
| 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 | 98.92% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.75% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.38% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.08% | 91.11% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 94.45% | 94.62% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.57% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.39% | 86.33% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 90.14% | 95.50% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 86.80% | 94.08% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 86.17% | 97.64% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 84.32% | 90.17% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.36% | 90.00% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 82.91% | 91.07% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.23% | 97.09% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.76% | 91.19% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 80.88% | 85.14% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.87% | 99.23% |
| CHEMBL216 | P11229 | Muscarinic acetylcholine receptor M1 | 80.14% | 94.23% |
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 | 6436190 |
| LOTUS | LTS0071868 |
| wikiData | Q105135718 |