Chlorantene B
| Internal ID | f06398ca-69cf-4f31-82a8-cbc1ad48e8e5 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids > Eremophilane, 8,9-secoeremophilane and furoeremophilane sesquiterpenoids |
| IUPAC Name | (4aR,5R,8R,8aR)-5-hydroxy-3,5,8a-trimethyl-8-nitro-6,7,8,9-tetrahydro-4aH-benzo[f][1]benzofuran-4-one |
| SMILES (Canonical) | CC1=COC2=C1C(=O)C3C(CCC(C3(C2)C)[N+](=O)[O-])(C)O |
| SMILES (Isomeric) | CC1=COC2=C1C(=O)[C@H]3[C@](CC[C@H]([C@@]3(C2)C)[N+](=O)[O-])(C)O |
| InChI | InChI=1S/C15H19NO5/c1-8-7-21-9-6-14(2)10(16(19)20)4-5-15(3,18)13(14)12(17)11(8)9/h7,10,13,18H,4-6H2,1-3H3/t10-,13-,14+,15-/m1/s1 |
| InChI Key | YYUKCGXOQJSCQD-QPKOPYBWSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C15H19NO5 |
| Molecular Weight | 293.31 g/mol |
| Exact Mass | 293.12632271 g/mol |
| Topological Polar Surface Area (TPSA) | 96.30 Ų |
| XlogP | 1.70 |
| (4aR,5R,8R,8aR)-5-hydroxy-3,5,8a-trimethyl-8-nitro-6,7,8,9-tetrahydro-4aH-benzo[f][1]benzofuran-4-one |
| 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 |
|---|---|---|---|---|
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.76% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.83% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.74% | 91.11% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 88.58% | 96.38% |
| CHEMBL5805 | Q9NR97 | Toll-like receptor 8 | 88.09% | 96.25% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.01% | 89.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.74% | 97.09% |
| CHEMBL1871 | P10275 | Androgen Receptor | 87.69% | 96.43% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.08% | 100.00% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 86.10% | 96.21% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.88% | 86.33% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 85.86% | 93.04% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 85.18% | 93.03% |
| CHEMBL4803 | P29474 | Nitric-oxide synthase, endothelial | 83.65% | 86.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.99% | 95.89% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.98% | 99.23% |
| CHEMBL4072 | P07858 | Cathepsin B | 81.11% | 93.67% |
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.
| Chloranthus serratus |
| PubChem | 25180316 |
| LOTUS | LTS0225345 |
| wikiData | Q105368922 |