| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
GRAMNIPHENOL G
ID: ALA2333781
Max Phase: Preclinical
Molecular Formula: C20H18O3
Molecular Weight: 306.36
Molecule Type: Small molecule
Associated Items:
Representations
Synonyms (1): Gramniphenol G
Synonyms from Alternative Forms(1):
Canonical SMILES: COc1ccc(-c2cc3cc4c(cc3o2)OC(C)(C)C=C4)cc1
Standard InChI: InChI=1S/C20H18O3/c1-20(2)9-8-14-10-15-11-17(22-18(15)12-19(14)23-20)13-4-6-16(21-3)7-5-13/h4-12H,1-3H3
Standard InChI Key: UDHFTJHEOIOAAC-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 |
|---|
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: 306.36 | Molecular Weight (Monoisotopic): 306.1256 | AlogP: 5.29 | #Rotatable Bonds: 2 |
| Polar Surface Area: 31.60 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 0 |
| #RO5 Violations: 1 | HBA (Lipinski): 3 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 4.44 | CX LogD: 4.44 |
| Aromatic Rings: 3 | Heavy Atoms: 23 | QED Weighted: 0.64 | Np Likeness Score: 1.48 |
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):