| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5172651
Max Phase: Preclinical
Molecular Formula: C15H22O4
Molecular Weight: 266.34
Associated Items:
Representations
Canonical SMILES: C=C1CC[C@H](O)[C@]2(C)CC[C@H]3[C@@H](C)C(=O)O[C@@H]3[C@@]12O
Standard InChI: InChI=1S/C15H22O4/c1-8-4-5-11(16)14(3)7-6-10-9(2)13(17)19-12(10)15(8,14)18/h9-12,16,18H,1,4-7H2,2-3H3/t9-,10+,11+,12+,14+,15+/m1/s1
Standard InChI Key: CJLHTKGWEUGORV-YLHZTVIJSA-N
Associated Targets(non-human)
B16 5829 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: 266.34 | Molecular Weight (Monoisotopic): 266.1518 | AlogP: 1.41 | #Rotatable Bonds: 0 |
| Polar Surface Area: 66.76 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 12.87 | CX Basic pKa: | CX LogP: 1.29 | CX LogD: 1.29 |
| Aromatic Rings: 0 | Heavy Atoms: 19 | QED Weighted: 0.51 | Np Likeness Score: 3.16 |
References
| 1. Wu JF, Turak A, Zang D, Zou GA, Aisa HA.. (2022) Sesquiterpenoids from Seriphidium transiliense and Their Melanogenic Activity., 85 (11.0): [PMID:36326734] [10.1021/acs.jnatprod.2c00527] |
Source
Source(1):