| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5199266
Max Phase: Preclinical
Molecular Formula: C25H30O6
Molecular Weight: 426.51
Associated Items:
Representations
Canonical SMILES: C=C1[C@@]2(C)C[C@H]3C(=C)[C@]4(C=CC(=O)OC4(C)C)CC[C@]3(C)[C@@]13C(=O)O[C@@H](C)[C@@]3(O)C2=O
Standard InChI: InChI=1S/C25H30O6/c1-13-16-12-21(6)14(2)24(19(28)30-15(3)25(24,29)18(21)27)22(16,7)10-11-23(13)9-8-17(26)31-20(23,4)5/h8-9,15-16,29H,1-2,10-12H2,3-7H3/t15-,16-,21+,22-,23-,24-,25+/m0/s1
Standard InChI Key: YJDXBOGRIUMCLZ-ZLRFBPIASA-N
Associated Targets(non-human)
IEC-6 77 Activities
Molecule Features
| Natural Product: Yes | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: | 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: 426.51 | Molecular Weight (Monoisotopic): 426.2042 | AlogP: 3.05 | #Rotatable Bonds: 0 |
| Polar Surface Area: 89.90 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 11.44 | CX Basic pKa: | CX LogP: 3.30 | CX LogD: 3.30 |
| Aromatic Rings: 0 | Heavy Atoms: 31 | QED Weighted: 0.47 | Np Likeness Score: 2.38 |
References
| 1. Zhao M, Tang Y, Xie J, Zhao Z, Cui H.. (2021) Meroterpenoids produced by fungi: Occurrence, structural diversity, biological activities, and their molecular targets., 209 [PMID:33032085] [10.1016/j.ejmech.2020.112860] |
Source
Source(1):