| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA4476194
Max Phase: Preclinical
Molecular Formula: C32H30O5
Molecular Weight: 494.59
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: CC(C)=CCOc1c2c(cc3oc(-c4ccccc4)c(OCc4ccccc4)c(=O)c13)OC(C)(C)C=C2
Standard InChI: InChI=1S/C32H30O5/c1-21(2)16-18-34-30-24-15-17-32(3,4)37-25(24)19-26-27(30)28(33)31(35-20-22-11-7-5-8-12-22)29(36-26)23-13-9-6-10-14-23/h5-17,19H,18,20H2,1-4H3
Standard InChI Key: ZVAGUBZGRZYLTL-UHFFFAOYSA-N
Associated Targets(non-human)
NRK-52E 51 Activities
Rattus norvegicus 775804 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Unknown | 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 |
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Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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Properties
| Molecular Weight: 494.59 | Molecular Weight (Monoisotopic): 494.2093 | AlogP: 7.57 | #Rotatable Bonds: 7 |
| Polar Surface Area: 57.90 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 0 |
| #RO5 Violations: 1 | HBA (Lipinski): 5 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 6.66 | CX LogD: 6.66 |
| Aromatic Rings: 4 | Heavy Atoms: 37 | QED Weighted: 0.25 | Np Likeness Score: 1.48 |
References
| 1. Kim ES, Jang H, Chang SY, Baek SH, Bae ON, Kim H.. (2018) Total Synthesis and Biological Evaluation of Sericetin for Protection against Cisplatin-Induced Acute Kidney Injury., 81 (12): [PMID:30540183] [10.1021/acs.jnatprod.8b00434] |
Source
Source(1):