NatID | 703 |
Common Name | 6-epi-catalpol |
Molecular Formula | C15H22O10 |
Chemical Class | Organooxygen compounds > Carbohydrates and carbohydrate conjugates |
Molecular Weight | 362.121 g/mol |
Other names |
Smiles | OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@@H]3[C@H]2[C@@]2(CO)O[C@H]2[C@@H]3O)[C@H](O)[C@@H](O)[C@@H]1O |
Inchi | InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2/t5-,6-,7-,8-,9-,10+,11-,12+,13+,14+,15-/m1/s1 |
Inchi Key | LHDWRKICQLTVDL-QXJSOWLYSA-N |
3D Structure |
clogP | -3.59 |
TPSA | 161.60 |
HBD | 6 |
HBA | 10 |
Rotatable Bonds | 4 |
Aromatic Rings | 0 |
Heavy Atoms | 25 |
Aromatic Carbocycles | 0 |
Aromatic Heterocycles | 0 |
Number of NO | 10 |
EID | Source | Semisynthetic? | Confidence level | References |
---|---|---|---|---|
9273 | Buddleja cordobensis | No | Very High | Garro, H. A., García, C., Martín, V. S., Tonn, C. E., & Pungitore, C. R. (2015). A new iridoid, verbascoside and derivatives with inhibitory activity against Taq DNA polymerase. Bioorganic & Medicinal Chemistry Letters, 25(4), 914–918. https://doi.org/10.1016/j.bmcl.2014.12.052 |
Bioassay ID | NPASS ID | Target | Activity type | Activity |
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