| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5185044
Max Phase: Preclinical
Molecular Formula: C15H24O2
Molecular Weight: 236.35
Associated Items:
Representations
Canonical SMILES: CC1=CC[C@]23C[C@@H]1C[C@@](C)(O)[C@H]2[C@H](O)C[C@@H]3C
Standard InChI: InChI=1S/C15H24O2/c1-9-4-5-15-8-11(9)7-14(3,17)13(15)12(16)6-10(15)2/h4,10-13,16-17H,5-8H2,1-3H3/t10-,11-,12+,13+,14+,15+/m0/s1
Standard InChI Key: KCUAHALVFZQCSG-BBZRCZKMSA-N
Associated Targets(non-human)
Colletotrichum gloeosporioides 560 Activities
Molecule Features
| Natural Product: Yes | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: | 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: 236.35 | Molecular Weight (Monoisotopic): 236.1776 | AlogP: 2.50 | #Rotatable Bonds: 0 |
| Polar Surface Area: 40.46 | Molecular Species: NEUTRAL | HBA: 2 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 2 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 1.59 | CX LogD: 1.59 |
| Aromatic Rings: 0 | Heavy Atoms: 17 | QED Weighted: 0.63 | Np Likeness Score: 3.13 |
References
| 1. Li K, Chen S, Pang X, Cai J, Zhang X, Liu Y, Zhu Y, Zhou X.. (2022) Natural products from mangrove sediments-derived microbes: Structural diversity, bioactivities, biosynthesis, and total synthesis., 230 [PMID:35063731] [10.1016/j.ejmech.2022.114117] |
Source
Source(1):