| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4646500
Max Phase: Preclinical
Molecular Formula: C15H20O4
Molecular Weight: 264.32
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: Cc1cc([C@]23OC[C@@H](C)[C@H]2CC[C@H]3C)oc(=O)c1O
Standard InChI: InChI=1S/C15H20O4/c1-8-6-12(19-14(17)13(8)16)15-10(3)4-5-11(15)9(2)7-18-15/h6,9-11,16H,4-5,7H2,1-3H3/t9-,10-,11-,15-/m1/s1
Standard InChI Key: NXASRCLLNRHDMV-UYUMYWFVSA-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: 2.56 | #Rotatable Bonds: 1 |
| Polar Surface Area: 59.67 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 10.45 | CX Basic pKa: | CX LogP: 2.44 | CX LogD: 2.44 |
| Aromatic Rings: 1 | Heavy Atoms: 19 | QED Weighted: 0.85 | Np Likeness Score: 1.81 |
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):