| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4634495
Max Phase: Preclinical
Molecular Formula: C15H20O4
Molecular Weight: 264.32
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: CC1=C(O)C(=O)[C@]23C(=O)[C@H]1[C@H](O)[C@@H](C)[C@H]2CC[C@H]3C
Standard InChI: InChI=1S/C15H20O4/c1-6-4-5-9-7(2)11(16)10-8(3)12(17)14(19)15(6,9)13(10)18/h6-7,9-11,16-17H,4-5H2,1-3H3/t6-,7+,9-,10-,11-,15+/m1/s1
Standard InChI Key: PSRWXKPUAGZVKZ-CNQZAIAMSA-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: 264.32 | Molecular Weight (Monoisotopic): 264.1362 | AlogP: 1.63 | #Rotatable Bonds: 0 |
| Polar Surface Area: 74.60 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 8.81 | CX Basic pKa: | CX LogP: 1.86 | CX LogD: 1.84 |
| Aromatic Rings: 0 | Heavy Atoms: 19 | QED Weighted: 0.65 | Np Likeness Score: 1.76 |
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):