| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA520604
Max Phase: Preclinical
Molecular Formula: C15H24O4
Molecular Weight: 268.35
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: C[C@@H]1C[C@H](O)[C@@H]2C3=C1[C@@H](O)OC[C@@]3(C)[C@H](O)C2(C)C
Standard InChI: InChI=1S/C15H24O4/c1-7-5-8(16)10-11-9(7)12(17)19-6-15(11,4)13(18)14(10,2)3/h7-8,10,12-13,16-18H,5-6H2,1-4H3/t7-,8+,10-,12+,13-,15-/m1/s1
Standard InChI Key: NGEOWCSCCIYZLE-BDTCJLSISA-N
Associated Targets(non-human)
[Chlorella] fusca 158 Activities
Molecule Features
| Natural Product: Yes | 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: 268.35 | Molecular Weight (Monoisotopic): 268.1675 | AlogP: 1.06 | #Rotatable Bonds: 0 |
| Polar Surface Area: 69.92 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 3 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 11.83 | CX Basic pKa: | CX LogP: 0.37 | CX LogD: 0.37 |
| Aromatic Rings: 0 | Heavy Atoms: 19 | QED Weighted: 0.57 | Np Likeness Score: 2.94 |
References
| 1. Krohn K, Dai J, Flörke U, Aust HJ, Dräger S, Schulz B.. (2005) Botryane metabolites from the fungus Geniculosporium sp. isolated from the marine red alga Polysiphonia., 68 (3): [PMID:15787444] [10.1021/np0498206] |
Source
Source(1):