| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
KAZINOL K
ID: ALA454306
Max Phase: Preclinical
Molecular Formula: C30H38O4
Molecular Weight: 462.63
Molecule Type: Small molecule
Associated Items:
Representations
Synonyms (1): Kazinol K
Synonyms from Alternative Forms(1):
Canonical SMILES: C=CC(C)(C)c1cc(CCCc2cc(O)c3c(c2CC=C(C)C)C=CC(C)(C)O3)c(O)cc1O
Standard InChI: InChI=1S/C30H38O4/c1-8-29(4,5)24-16-21(25(31)18-26(24)32)11-9-10-20-17-27(33)28-23(14-15-30(6,7)34-28)22(20)13-12-19(2)3/h8,12,14-18,31-33H,1,9-11,13H2,2-7H3
Standard InChI Key: WDJNJKJPBQVUPY-UHFFFAOYSA-N
Associated Targets(Human)
HT-3 144 Activities
Ca-Ski 420 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
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: 462.63 | Molecular Weight (Monoisotopic): 462.2770 | AlogP: 7.14 | #Rotatable Bonds: 8 |
| Polar Surface Area: 69.92 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 3 |
| #RO5 Violations: 1 | HBA (Lipinski): 4 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 9.29 | CX Basic pKa: | CX LogP: 8.36 | CX LogD: 8.35 |
| Aromatic Rings: 2 | Heavy Atoms: 34 | QED Weighted: 0.36 | Np Likeness Score: 2.49 |
References
| 1. Ko HH, Yen MH, Wu RR, Won SJ, Lin CN.. (1999) Cytotoxic isoprenylated flavans of Broussonetia kazinoki., 62 (1): [PMID:9917310] [10.1021/np980281c] |
Source
Source(1):