The store will not work correctly when cookies are disabled.
ID: ALA30914
Max Phase: Preclinical
Molecular Formula: C24H40O3
Molecular Weight: 376.58
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCCCCCCCCCCCCCCCCc1cccc(O)c1C(=O)O
Standard InChI: InChI=1S/C24H40O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-19-17-20-22(25)23(21)24(26)27/h17,19-20,25H,2-16,18H2,1H3,(H,26,27)
Standard InChI Key: XUSNORMUTPYOKW-UHFFFAOYSA-N
Associated Targets(non-human)
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: 376.58 | Molecular Weight (Monoisotopic): 376.2977 | AlogP: 7.50 | #Rotatable Bonds: 17 |
| Polar Surface Area: 57.53 | Molecular Species: ACID | HBA: 2 | HBD: 2 |
| #RO5 Violations: 1 | HBA (Lipinski): 3 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 2.64 | CX Basic pKa: | CX LogP: 9.60 | CX LogD: 6.10 |
| Aromatic Rings: 1 | Heavy Atoms: 27 | QED Weighted: 0.28 | Np Likeness Score: 0.47 |
References
| 1. Hird NW, Milner PH. (1994) Synthesis and -lactamase inhibition of anacardic acids and their analogues, 4 (12): [10.1016/S0960-894X(01)80506-0] |
