| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4645225
Max Phase: Preclinical
Molecular Formula: C14H20O3
Molecular Weight: 236.31
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: CC1=CC(=O)[C@]2(C1=O)[C@H](C)CC[C@@H]2[C@H](C)CO
Standard InChI: InChI=1S/C14H20O3/c1-8-6-12(16)14(13(8)17)10(3)4-5-11(14)9(2)7-15/h6,9-11,15H,4-5,7H2,1-3H3/t9-,10-,11-,14+/m1/s1
Standard InChI Key: WBZDMHOGIFWJIG-BIAAXOCRSA-N
Associated Targets(non-human)
Rhodotorula glutinis 200 Activities
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Unknown | 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: 236.31 | Molecular Weight (Monoisotopic): 236.1412 | AlogP: 1.75 | #Rotatable Bonds: 2 |
| Polar Surface Area: 54.37 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 3 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 2.60 | CX LogD: 2.60 |
| Aromatic Rings: 0 | Heavy Atoms: 17 | QED Weighted: 0.74 | Np Likeness Score: 2.39 |
References
| 1. Sandargo B, Michehl M, Stadler M, Surup F.. (2020) Antifungal Sesquiterpenoids, Rhodocoranes, from Submerged Cultures of the Wrinkled Peach Mushroom, Rhodotus palmatus., 83 (3): [PMID:31820970] [10.1021/acs.jnatprod.9b00871] |
Source
Source(1):