| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA2333783
Max Phase: Preclinical
Molecular Formula: C14H10O5
Molecular Weight: 258.23
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: COc1cc(O)cc2c1-c1c(O)cc(O)cc1C2=O
Standard InChI: InChI=1S/C14H10O5/c1-19-11-5-7(16)3-9-13(11)12-8(14(9)18)2-6(15)4-10(12)17/h2-5,15-17H,1H3
Standard InChI Key: DILPYVBUOBXTTA-UHFFFAOYSA-N
Associated Targets(Human)
C8166 1658 Activities
Associated Targets(non-human)
Tobacco mosaic virus 2972 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Human immunodeficiency virus 1 70413 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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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: 258.23 | Molecular Weight (Monoisotopic): 258.0528 | AlogP: 2.02 | #Rotatable Bonds: 1 |
| Polar Surface Area: 86.99 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 3 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 8.15 | CX Basic pKa: | CX LogP: 2.04 | CX LogD: 1.97 |
| Aromatic Rings: 2 | Heavy Atoms: 19 | QED Weighted: 0.62 | Np Likeness Score: 1.55 |
References
| 1. Hu QF, Zhou B, Huang JM, Gao XM, Shu LD, Yang GY, Che CT.. (2013) Antiviral phenolic compounds from Arundina gramnifolia., 76 (2): [PMID:23368966] [10.1021/np300727f] |
Source
Source(1):