Penf(?1-2)Pen(?1-6)Hex(?1-4)[Pen(?1-6)]Hex(?1-4)Hex
| Internal ID | 0c19d98a-20b5-47e3-9532-966efa14cd1f |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Oligosaccharides |
| IUPAC Name | 5-[5-[6-[[3-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-3,4-dihydroxy-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,3,4-triol |
| SMILES (Canonical) | C1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3C(OC(C(C3O)O)O)CO)O)O)OC4C(C(C(C(O4)COC5C(C(C(CO5)O)O)OC6C(C(C(O6)CO)O)O)O)O)O)O)O)O |
| SMILES (Isomeric) | C1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3C(OC(C(C3O)O)O)CO)O)O)OC4C(C(C(C(O4)COC5C(C(C(CO5)O)O)OC6C(C(C(O6)CO)O)O)O)O)O)O)O)O |
| InChI | InChI=1S/C33H56O28/c34-1-9-15(40)22(47)30(56-9)61-27-14(39)8(37)4-52-33(27)54-5-11-16(41)17(42)23(48)31(57-11)60-26-12(6-53-29-21(46)13(38)7(36)3-51-29)58-32(24(49)19(26)44)59-25-10(2-35)55-28(50)20(45)18(25)43/h7-50H,1-6H2 |
| InChI Key | PDPLZUBYBUOEGA-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C33H56O28 |
| Molecular Weight | 900.80 g/mol |
| Exact Mass | 900.29581113 g/mol |
| Topological Polar Surface Area (TPSA) | 445.00 Ų |
| XlogP | -11.50 |
| There are no found synonyms. |
![2D Structure of Penf(?1-2)Pen(?1-6)Hex(?1-4)[Pen(?1-6)]Hex(?1-4)Hex](https://plantaedb.com/storage/docs/compounds/2023/11/penf1-2pen1-6hex1-4pen1-6hex1-4hex.jpg "2D Structure of Penf(?1-2)Pen(?1-6)Hex(?1-4)[Pen(?1-6)]Hex(?1-4)Hex")
| 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 |
|---|---|---|---|---|
| CHEMBL226 | P30542 | Adenosine A1 receptor | 96.70% | 95.93% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.14% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.17% | 96.09% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 91.11% | 96.61% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 90.60% | 86.92% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 89.75% | 97.25% |
| CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 89.47% | 83.57% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.94% | 97.09% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 87.26% | 95.83% |
| CHEMBL3589 | P55263 | Adenosine kinase | 84.81% | 98.05% |
| CHEMBL1075162 | Q13304 | Uracil nucleotide/cysteinyl leukotriene receptor | 84.50% | 80.33% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 82.81% | 95.50% |
| CHEMBL2072 | P35499 | Sodium channel protein type IV alpha subunit | 81.23% | 92.32% |
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.
| Nicotiana tabacum |
| PubChem | 163021094 |
| LOTUS | LTS0254576 |
| wikiData | Q105206657 |