| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA2332627
Max Phase: Preclinical
Molecular Formula: C24H34O3
Molecular Weight: 370.53
Molecule Type: Small molecule
Associated Items:
Representations
Synonyms (1): 3,3'-O-Dipentyldiorcinol
Synonyms from Alternative Forms(1):
Canonical SMILES: CCCCCOc1cc(C)cc(Oc2cc(C)cc(OCCCCC)c2)c1
Standard InChI: InChI=1S/C24H34O3/c1-5-7-9-11-25-21-13-19(3)15-23(17-21)27-24-16-20(4)14-22(18-24)26-12-10-8-6-2/h13-18H,5-12H2,1-4H3
Standard InChI Key: DSZVHBOSGUHTTC-UHFFFAOYSA-N
Associated Targets(non-human)
Pseudomonas putida 467 Activities
Vibrio parahaemolyticus 473 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Vibrio anguillarum 183 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Staphylococcus aureus 210822 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Staphylococcus epidermidis 22802 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: 370.53 | Molecular Weight (Monoisotopic): 370.2508 | AlogP: 7.23 | #Rotatable Bonds: 12 |
| Polar Surface Area: 27.69 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 0 |
| #RO5 Violations: 1 | HBA (Lipinski): 3 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 7.72 | CX LogD: 7.72 |
| Aromatic Rings: 2 | Heavy Atoms: 27 | QED Weighted: 0.37 | Np Likeness Score: -0.22 |
References
| 1. Chen M, Shao CL, Fu XM, Xu RF, Zheng JJ, Zhao DL, She ZG, Wang CY.. (2013) Bioactive indole alkaloids and phenyl ether derivatives from a marine-derived Aspergillus sp. Fungus., 76 (4): [PMID:23527875] [10.1021/np300707x] |
Source
Source(1):