| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
FLORLIDE B
ID: ALA465395
Max Phase: Preclinical
Molecular Formula: C20H30O4
Molecular Weight: 334.46
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CC(C)/C=C/C=C1/COC(=O)[C@@H]2[C@@H]1CC[C@@]1(C)C[C@]2(O)CC[C@@H]1O
Standard InChI: InChI=1S/C20H30O4/c1-13(2)5-4-6-14-11-24-18(22)17-15(14)7-9-19(3)12-20(17,23)10-8-16(19)21/h4-6,13,15-17,21,23H,7-12H2,1-3H3/b5-4+,14-6-/t15-,16+,17+,19+,20-/m1/s1
Standard InChI Key: PWRBRSYLZUIGKX-MMKIHUNMSA-N
Associated Targets(non-human)
Staphylococcus aureus 210822 Activities
Aeromonas salmonicida 8 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Molecule Features
| Natural Product: No | 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: 334.46 | Molecular Weight (Monoisotopic): 334.2144 | AlogP: 2.99 | #Rotatable Bonds: 2 |
| Polar Surface Area: 66.76 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 2.50 | CX LogD: 2.50 |
| Aromatic Rings: 0 | Heavy Atoms: 24 | QED Weighted: 0.76 | Np Likeness Score: 3.13 |
References
| 1. Iwagawa T, Kawasaki Ji, Hase T.. (1998) New xenia diterpenes isolated from the soft coral, xenia florida, 61 (12): [PMID:9868153] [10.1021/np9802116] |
Source
Source(1):