Gavibamycin A3
| Internal ID | 7f978cce-d861-4775-9220-ddf959fe55dd |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Oligosaccharides |
| IUPAC Name | [4-hydroxy-6-[4'-hydroxy-6-[3-hydroxy-2-[4-hydroxy-6-[7'-hydroxy-7'-(1-hydroxyethyl)-6'-methyl-7-(2-methylpropanoyloxy)spiro[4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-2,4'-6,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran]-6-yl]oxy-5-methoxy-2-(methoxymethyl)oxan-3-yl]oxy-5-methoxy-6-methyloxan-4-yl]oxy-2',4,7a-trimethylspiro[3a,4,6,7-tetrahydro-[1,3]dioxolo[4,5-c]pyran-2,6'-oxane]-3'-yl]oxy-2-methyloxan-3-yl] 3,5-dichloro-2,4-dihydroxy-6-methylbenzoate |
| SMILES (Canonical) | CC1C(C(CC(O1)OC2C(OC3(CC2O)OC4C(OC(CC4(O3)C)OC5C(C(OC(C5OC)C)OC6C(OC(C(C6O)OC)OC7C(C8C(CO7)OC9(O8)C1C(C(C(O9)C)(C(C)O)O)OCO1)OC(=O)C(C)C)COC)O)C)C)O)OC(=O)C1=C(C(=C(C(=C1O)Cl)O)Cl)C |
| SMILES (Isomeric) | CC1C(C(CC(O1)OC2C(OC3(CC2O)OC4C(OC(CC4(O3)C)OC5C(C(OC(C5OC)C)OC6C(OC(C(C6O)OC)OC7C(C8C(CO7)OC9(O8)C1C(C(C(O9)C)(C(C)O)O)OCO1)OC(=O)C(C)C)COC)O)C)C)O)OC(=O)C1=C(C(=C(C(=C1O)Cl)O)Cl)C |
| InChI | InChI=1S/C60H88Cl2O32/c1-20(2)52(70)86-48-45-31(91-60(92-45)51-50(77-19-78-51)59(72,26(8)63)27(9)90-60)18-76-55(48)88-56-47(75-13)39(68)44(30(82-56)17-73-11)87-54-40(69)46(43(74-12)23(5)81-54)84-33-16-57(10)49(25(7)80-33)93-58(94-57)15-29(65)42(24(6)89-58)83-32-14-28(64)41(22(4)79-32)85-53(71)34-21(3)35(61)38(67)36(62)37(34)66/h20,22-33,39-51,54-56,63-69,72H,14-19H2,1-13H3 |
| InChI Key | WWSKIAYQZBVDBA-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C60H88Cl2O32 |
| Molecular Weight | 1392.20 g/mol |
| Exact Mass | 1390.4635760 g/mol |
| Topological Polar Surface Area (TPSA) | 399.00 Ų |
| XlogP | 0.90 |
| 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 | 99.83% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.98% | 94.45% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.42% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.28% | 96.09% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 97.02% | 98.75% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 94.19% | 85.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 94.09% | 85.14% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 94.03% | 91.19% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.79% | 97.09% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 93.68% | 96.77% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 93.53% | 89.00% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 93.02% | 95.17% |
| CHEMBL1914 | P06276 | Butyrylcholinesterase | 92.95% | 95.00% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 92.39% | 96.47% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.32% | 98.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 90.90% | 94.73% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 90.78% | 97.14% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 90.61% | 91.07% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 90.11% | 94.00% |
| CHEMBL3572 | P11597 | Cholesteryl ester transfer protein | 90.01% | 92.67% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 89.14% | 96.90% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 88.98% | 96.61% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 88.92% | 86.92% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 88.65% | 96.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 88.57% | 95.89% |
| CHEMBL204 | P00734 | Thrombin | 88.54% | 96.01% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.99% | 86.33% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 86.53% | 92.62% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 85.71% | 97.36% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 85.58% | 95.93% |
| CHEMBL344 | Q99705 | Melanin-concentrating hormone receptor 1 | 84.67% | 92.50% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 83.20% | 95.71% |
| CHEMBL1993 | P26358 | DNA (cytosine-5)-methyltransferase 1 | 83.18% | 95.44% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 83.00% | 92.50% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 82.91% | 92.29% |
| CHEMBL2072 | P35499 | Sodium channel protein type IV alpha subunit | 82.50% | 92.32% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 82.32% | 83.00% |
| CHEMBL1871 | P10275 | Androgen Receptor | 81.93% | 96.43% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.79% | 95.89% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.40% | 90.00% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 80.94% | 89.34% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 80.53% | 91.24% |
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.
| Siraitia grosvenorii |
| PubChem | 85053916 |
| LOTUS | LTS0232850 |
| wikiData | Q105311483 |