| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA1770695
Max Phase: Preclinical
Molecular Formula: C21H24O11
Molecular Weight: 452.41
Molecule Type: Small molecule
Associated Items:
Representations
Synonyms (1): 6'-O-Galloylsalidroside
Synonyms from Alternative Forms(1):
Canonical SMILES: O=C(OC[C@H]1O[C@@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O)c1cc(O)c(O)c(O)c1
Standard InChI: InChI=1S/C21H24O11/c22-12-3-1-10(2-4-12)5-6-30-21-19(28)18(27)17(26)15(32-21)9-31-20(29)11-7-13(23)16(25)14(24)8-11/h1-4,7-8,15,17-19,21-28H,5-6,9H2/t15-,17-,18+,19-,21-/m1/s1
Standard InChI Key: BHUHTEAJYSUNLI-PEVLUNPASA-N
Associated Targets(non-human)
Ribonuclease HI 16 Activities
Molecule Features
| Natural Product: Yes | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Small molecule | Topical: No | First In Class: No | Black Box: No |
| Chirality: No | Availability: No | Prodrug: No |
Drug Indications
| MESH ID | MESH Heading | EFO IDs | EFO Terms | Max Phase for Indication | References |
|---|
Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
Properties
| Molecular Weight: 452.41 | Molecular Weight (Monoisotopic): 452.1319 | AlogP: -0.27 | #Rotatable Bonds: 7 |
| Polar Surface Area: 186.37 | Molecular Species: NEUTRAL | HBA: 11 | HBD: 7 |
| #RO5 Violations: 2 | HBA (Lipinski): 11 | HBD (Lipinski): 7 | #RO5 Violations (Lipinski): 2 |
| CX Acidic pKa: 8.10 | CX Basic pKa: | CX LogP: 1.00 | CX LogD: 0.93 |
| Aromatic Rings: 2 | Heavy Atoms: 32 | QED Weighted: 0.22 | Np Likeness Score: 1.46 |
References
| 1. Kim JA, Yang SY, Wamiru A, McMahon JB, Le Grice SF, Beutler JA, Kim YH.. (2011) New monoterpene glycosides and phenolic compounds from Distylium racemosum and their inhibitory activity against ribonuclease H., 21 (10): [PMID:21489793] [10.1016/j.bmcl.2011.03.091] |
Source
Source(1):