Spongistatin 3
| Internal ID | cf0ccf09-e25f-42ee-8f1b-bd928c098315 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > C-glycosyl compounds |
| IUPAC Name | [(1R,3R,9R,10R,11R,14R,15S,17R,18S,19S,23Z,25S,27R,29R,31R,36S,37R,38S,41R,43R,49S)-11-[(4R,5E)-7-chloro-4-hydroxy-2-methylideneocta-5,7-dienyl]-3,10,14,15,17,27,43-heptahydroxy-31-methoxy-18,36,38,43,49-pentamethyl-39-methylidene-7,35-dioxo-8,12,45,46,47,48,50-heptaoxaheptacyclo[39.3.1.11,5.19,13.115,19.125,29.129,33]pentacont-23-en-37-yl] acetate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C61H93ClO20/c1-32(18-40(64)17-16-34(3)62)19-51-53(70)55-38(7)56(76-51)57(71)61(73)30-49(68)36(5)50(82-61)15-13-11-12-14-43-21-41(65)26-59(78-43)29-46(74-10)23-45(79-59)24-48(67)37(6)54(75-39(8)63)35(4)33(2)20-47-28-58(9,72)31-60(81-47)27-42(66)22-44(80-60)25-52(69)77-55/h12,14,16-17,35-38,40-47,49-51,53-57,64-66,68,70-73H,1-3,11,13,15,18-31H2,4-10H3/b14-12-,17-16+/t35-,36-,37+,38+,40-,41+,42+,43+,44?,45?,46+,47+,49+,50-,51+,53+,54+,55+,56?,57+,58+,59-,60-,61-/m0/s1 |
| InChI Key | VGULLEUAAMBZTQ-YGHPZBLNSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C61H93ClO20 |
| Molecular Weight | 1181.80 g/mol |
| Exact Mass | 1180.5948730 g/mol |
| Topological Polar Surface Area (TPSA) | 296.00 Ų |
| XlogP | 4.40 |
| VGULLEUAAMBZTQ-YGHPZBLNSA-N |
| 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 | 99.47% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 99.23% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.67% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 96.22% | 97.25% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 95.37% | 96.77% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.26% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.28% | 95.56% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 94.11% | 89.63% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 94.11% | 85.14% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.91% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.67% | 86.33% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 91.32% | 97.05% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 91.08% | 100.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 90.47% | 94.73% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 90.17% | 91.19% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 89.62% | 92.50% |
| CHEMBL5957 | P21589 | 5'-nucleotidase | 89.03% | 97.78% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 88.57% | 100.00% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 86.43% | 90.17% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 86.31% | 95.71% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.62% | 95.89% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 84.71% | 91.07% |
| CHEMBL3392948 | Q9NP59 | Solute carrier family 40 member 1 | 83.92% | 95.00% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 83.81% | 89.50% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 83.16% | 95.50% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 82.72% | 93.00% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 81.94% | 95.58% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 81.61% | 96.90% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.54% | 97.09% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 81.51% | 97.79% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.22% | 92.62% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.91% | 97.14% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 80.83% | 85.00% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 80.66% | 95.50% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 80.57% | 91.03% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 80.40% | 98.03% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.38% | 90.00% |
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 | 6479881 |
| LOTUS | LTS0076190 |
| wikiData | Q105286072 |