| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
MUKULOL
ID: ALA563224
Max Phase: Preclinical
Molecular Formula: C20H34O
Molecular Weight: 290.49
Molecule Type: Small molecule
Associated Items:
Representations
Synonyms (1): Mukulol
Synonyms from Alternative Forms(1):
Canonical SMILES: C/C1=C\CC/C(C)=C/[C@@H](O)[C@H](C(C)C)CC/C(C)=C/CC1
Standard InChI: InChI=1S/C20H34O/c1-15(2)19-13-12-17(4)10-6-8-16(3)9-7-11-18(5)14-20(19)21/h9-10,14-15,19-21H,6-8,11-13H2,1-5H3/b16-9-,17-10+,18-14-/t19-,20+/m0/s1
Standard InChI Key: HVZNIISBCURSMR-UMGHLLCCSA-N
Associated Targets(Human)
Phospholipase A2 group 1B 720 Activities
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: 290.49 | Molecular Weight (Monoisotopic): 290.2610 | AlogP: 5.81 | #Rotatable Bonds: 1 |
| Polar Surface Area: 20.23 | Molecular Species: NEUTRAL | HBA: 1 | HBD: 1 |
| #RO5 Violations: 1 | HBA (Lipinski): 1 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 5.73 | CX LogD: 5.73 |
| Aromatic Rings: 0 | Heavy Atoms: 21 | QED Weighted: 0.60 | Np Likeness Score: 2.14 |
References
| 1. Yu BZ, Kaimal R, Bai S, El Sayed KA, Tatulian SA, Apitz RJ, Jain MK, Deng R, Berg OG.. (2009) Effect of guggulsterone and cembranoids of Commiphora mukul on pancreatic phospholipase A(2): role in hypocholesterolemia., 72 (1): [PMID:19102680] [10.1021/np8004453] |
Source
Source(1):