| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA480077
Max Phase: Preclinical
Molecular Formula: C17H24O3
Molecular Weight: 276.38
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCO[C@H]1OC[C@]2(C)c3c(ccc(C)c31)C(C)(C)[C@H]2O
Standard InChI: InChI=1S/C17H24O3/c1-6-19-14-12-10(2)7-8-11-13(12)17(5,9-20-14)15(18)16(11,3)4/h7-8,14-15,18H,6,9H2,1-5H3/t14-,15+,17+/m0/s1
Standard InChI Key: WVMUFKGZUAMWJW-ZMSDIMECSA-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: 276.38 | Molecular Weight (Monoisotopic): 276.1725 | AlogP: 2.97 | #Rotatable Bonds: 2 |
| Polar Surface Area: 38.69 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 3 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 3.34 | CX LogD: 3.34 |
| Aromatic Rings: 1 | Heavy Atoms: 20 | QED Weighted: 0.90 | Np Likeness Score: 2.16 |
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):