| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA447704
Max Phase: Preclinical
Molecular Formula: C15H20O2
Molecular Weight: 232.32
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cc1ccc2c3c1COC[C@@]3(C)[C@H](O)C2(C)C
Standard InChI: InChI=1S/C15H20O2/c1-9-5-6-11-12-10(9)7-17-8-15(12,4)13(16)14(11,2)3/h5-6,13,16H,7-8H2,1-4H3/t13-,15-/m1/s1
Standard InChI Key: IRCNNWGKFMKOGI-UKRRQHHQSA-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: 232.32 | Molecular Weight (Monoisotopic): 232.1463 | AlogP: 2.44 | #Rotatable Bonds: 0 |
| Polar Surface Area: 29.46 | Molecular Species: NEUTRAL | HBA: 2 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 2 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 2.71 | CX LogD: 2.71 |
| Aromatic Rings: 1 | Heavy Atoms: 17 | QED Weighted: 0.74 | Np Likeness Score: 1.99 |
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):