| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ERYTHRIBYSSIN F
ID: ALA1095261
Max Phase: Preclinical
Molecular Formula: C25H26O6
Molecular Weight: 422.48
Molecule Type: Small molecule
Associated Items:
Representations
Synonyms (1): erythribyssin F
Synonyms from Alternative Forms(1):
Canonical SMILES: CC(C)=CCc1cc(-c2oc3c(CC=C(C)C)c(O)ccc3c2C(=O)O)c(O)cc1O
Standard InChI: InChI=1S/C25H26O6/c1-13(2)5-7-15-11-18(21(28)12-20(15)27)24-22(25(29)30)17-9-10-19(26)16(23(17)31-24)8-6-14(3)4/h5-6,9-12,26-28H,7-8H2,1-4H3,(H,29,30)
Standard InChI Key: JMORUTGUQMSNPM-UHFFFAOYSA-N
Associated Targets(non-human)
5'-AMP-activated protein kinase catalytic subunit alpha-1 27 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: 422.48 | Molecular Weight (Monoisotopic): 422.1729 | AlogP: 5.93 | #Rotatable Bonds: 6 |
| Polar Surface Area: 111.13 | Molecular Species: ACID | HBA: 5 | HBD: 4 |
| #RO5 Violations: 1 | HBA (Lipinski): 6 | HBD (Lipinski): 4 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 4.23 | CX Basic pKa: | CX LogP: 5.90 | CX LogD: 2.80 |
| Aromatic Rings: 3 | Heavy Atoms: 31 | QED Weighted: 0.37 | Np Likeness Score: 1.59 |
References
| 1. Nguyen PH, Nguyen TN, Dao TT, Kang HW, Ndinteh DT, Mbafor JT, Oh WK.. (2010) AMP-activated protein kinase (AMPK) activation by benzofurans and coumestans isolated from Erythrina abyssinica., 73 (4): [PMID:20337486] [10.1021/np900745g] |
Source
Source(1):