| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
GRAMNIPHENOL C
ID: ALA2333777
Max Phase: Preclinical
Molecular Formula: C20H20O6
Molecular Weight: 356.37
Molecule Type: Small molecule
Associated Items:
Representations
Synonyms (1): Gramniphenol C
Synonyms from Alternative Forms(1):
Canonical SMILES: COc1ccc2c(c1)C=C[C@@H](c1ccc(O)c(C(=O)CCO)c1OC)O2
Standard InChI: InChI=1S/C20H20O6/c1-24-13-4-8-17-12(11-13)3-7-18(26-17)14-5-6-15(22)19(20(14)25-2)16(23)9-10-21/h3-8,11,18,21-22H,9-10H2,1-2H3/t18-/m0/s1
Standard InChI Key: FJRLGZIVEMDILD-SFHVURJKSA-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: 356.37 | Molecular Weight (Monoisotopic): 356.1260 | AlogP: 3.12 | #Rotatable Bonds: 6 |
| Polar Surface Area: 85.22 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 9.13 | CX Basic pKa: | CX LogP: 2.97 | CX LogD: 2.96 |
| Aromatic Rings: 2 | Heavy Atoms: 26 | QED Weighted: 0.77 | Np Likeness Score: 1.45 |
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):