Sporolide B
| Internal ID | c104d623-8429-4f40-a667-bba67984ad18 |
| Taxonomy | Phenylpropanoids and polyketides > Macrolides and analogues |
| IUPAC Name | (1S,3S,7R,8R,12R,17R,18S,19R,21R,25R)-15-chloro-3,12,17,19,21-pentahydroxy-8-methoxy-5-methyl-2,10,24,26-tetraoxaheptacyclo[11.8.2.27,7.14,18.01,18.016,22.03,25]hexacosa-4,13(23),14,16(22)-tetraene-6,9-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C24H23ClO12/c1-7-15(29)21-18(33-2)19(31)34-6-11(26)8-3-9-14(10(25)4-8)16(30)23-13(28)5-12(27)22(9,23)37-24(32,17(7)35-23)20(21)36-21/h3-4,11-13,16,18,20,26-28,30,32H,5-6H2,1-2H3/t11-,12+,13+,16+,18-,20+,21-,22-,23-,24+/m0/s1 |
| InChI Key | CYXHIOKLZVVCBQ-LCCPHMJJSA-N |
| Popularity | 7 references in papers |
| Molecular Formula | C24H23ClO12 |
| Molecular Weight | 538.90 g/mol |
| Exact Mass | 538.0878039 g/mol |
| Topological Polar Surface Area (TPSA) | 185.00 Ų |
| XlogP | -2.90 |
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.23% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.49% | 97.09% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 93.82% | 94.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.02% | 95.56% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 91.45% | 83.82% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 91.28% | 94.73% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 90.83% | 96.61% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 89.93% | 96.77% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.05% | 89.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.94% | 94.45% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 88.48% | 90.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.77% | 86.33% |
| CHEMBL4803 | P29474 | Nitric-oxide synthase, endothelial | 86.19% | 86.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 85.98% | 96.09% |
| CHEMBL5957 | P21589 | 5'-nucleotidase | 85.05% | 97.78% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.54% | 95.89% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 84.24% | 97.14% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 83.95% | 96.95% |
| CHEMBL2581 | P07339 | Cathepsin D | 83.94% | 98.95% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 82.60% | 100.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 82.53% | 96.00% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 81.25% | 93.40% |
| CHEMBL3572 | P11597 | Cholesteryl ester transfer protein | 80.77% | 92.67% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 80.57% | 86.92% |
| CHEMBL4530 | P00488 | Coagulation factor XIII | 80.35% | 96.00% |
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 | 76900362 |
| LOTUS | LTS0035766 |
| wikiData | Q77383585 |