Sporidesmin B
| Internal ID | be93eae3-ac2e-40b4-8f3f-6df5598b5456 |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Pyrroloindoles |
| IUPAC Name | 6-chloro-3-hydroxy-7,8-dimethoxy-10,14,18-trimethyl-15,16-dithia-10,12,18-triazapentacyclo[12.2.2.01,12.03,11.04,9]octadeca-4,6,8-triene-13,17-dione |
| SMILES (Canonical) | CC12C(=O)N3C4C(CC3(C(=O)N1C)SS2)(C5=CC(=C(C(=C5N4C)OC)OC)Cl)O |
| SMILES (Isomeric) | CC12C(=O)N3C4C(CC3(C(=O)N1C)SS2)(C5=CC(=C(C(=C5N4C)OC)OC)Cl)O |
| InChI | InChI=1S/C18H20ClN3O5S2/c1-16-14(23)22-13-17(25,7-18(22,29-28-16)15(24)21(16)3)8-6-9(19)11(26-4)12(27-5)10(8)20(13)2/h6,13,25H,7H2,1-5H3 |
| InChI Key | HCAHETRFJITQNU-UHFFFAOYSA-N |
| Popularity | 42 references in papers |
| Molecular Formula | C18H20ClN3O5S2 |
| Molecular Weight | 458.00 g/mol |
| Exact Mass | 457.0532908 g/mol |
| Topological Polar Surface Area (TPSA) | 133.00 Ų |
| XlogP | 1.20 |
| 3351-96-0 |
| 0YY87TLX8U |
| NSC-246153 |
| 6-chloro-3-hydroxy-7,8-dimethoxy-10,14,18-trimethyl-15,16-dithia-10,12,18-triazapentacyclo[12.2.2.01,12.03,11.04,9]octadeca-4,6,8-triene-13,17-dione |
| 3,11a-Epidithio-11aH-pyrazino(1',2':1,5)pyrrolo(2,3-b)indole-1,4-dione, 9-chloro-2,3,5a,6,10b,11-hexahydro-10b-hydroxy-7,8-dimethoxy-2,3,6-trimethyl- |
| 6-chloro-3-hydroxy-7,8-dimethoxy-10,14,18-trimethyl-15,16-dithia-10,12,18-triazapentacyclo(12.2.2.01,12.03,11.04,9)octadeca-4,6,8-triene-13,17-dione |
| RefChem:185020 |
| UNII-0YY87TLX8U |
| NSC 246153 |
| SPORIDESMINE B |
| 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 |
|---|---|---|---|---|
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 96.83% | 96.77% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 95.98% | 83.82% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.43% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.42% | 98.95% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 92.14% | 90.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.76% | 86.33% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.07% | 91.11% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 89.42% | 94.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.84% | 95.56% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 86.90% | 93.40% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.24% | 94.45% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 85.06% | 96.95% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 83.58% | 93.99% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 80.92% | 95.62% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.76% | 91.19% |
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 | 99878 |
| LOTUS | LTS0181634 |
| wikiData | Q27237363 |