| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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PATULETIN
ID: ALA465155
Max Phase: Preclinical
Molecular Formula: C16H12O8
Molecular Weight: 332.26
Molecule Type: Small molecule
Associated Items:
Representations
Synonyms (2): 6-Methoxyquercetin | Patuletin
Synonyms from Alternative Forms(2):
Canonical SMILES: COc1c(O)cc2oc(-c3ccc(O)c(O)c3)c(O)c(=O)c2c1O
Standard InChI: InChI=1S/C16H12O8/c1-23-16-9(19)5-10-11(13(16)21)12(20)14(22)15(24-10)6-2-3-7(17)8(18)4-6/h2-5,17-19,21-22H,1H3
Standard InChI Key: JMIFIYIEXODVTO-UHFFFAOYSA-N
Associated Targets(Human)
HL-60 67320 Activities
Associated Targets(non-human)
Cell division protein kinase 5 15 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Heterodera zeae 651 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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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 |
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Properties
| Molecular Weight: 332.26 | Molecular Weight (Monoisotopic): 332.0532 | AlogP: 2.00 | #Rotatable Bonds: 2 |
| Polar Surface Area: 140.59 | Molecular Species: NEUTRAL | HBA: 8 | HBD: 5 |
| #RO5 Violations: 0 | HBA (Lipinski): 8 | HBD (Lipinski): 5 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 6.89 | CX Basic pKa: | CX LogP: 2.00 | CX LogD: 1.33 |
| Aromatic Rings: 3 | Heavy Atoms: 24 | QED Weighted: 0.45 | Np Likeness Score: 1.68 |
References
| 1. Zapata-Torres G, Opazo F, Salgado C, Muñoz JP, Krautwurst H, Mascayano C, Sepúlveda-Boza S, Maccioni RB, Cassels BK.. (2004) Effects of natural flavones and flavonols on the kinase activity of Cdk5., 67 (3): [PMID:15043421] [10.1021/np034011s] |
| 2. Park EJ, Kim Y, Kim J.. (2000) Acylated flavonol glycosides from the flower of Inula britannica., 63 (1): [PMID:10650074] [10.1021/np990271r] |
| 3. Pandurangan N, Bose C, Banerji A.. (2011) Synthesis and antioxygenic activities of seabuckthorn flavone-3-ols and analogs., 21 (18): [PMID:21821414] [10.1016/j.bmcl.2011.07.008] |
| 4. Faizi S, Fayyaz S, Bano S, Iqbal EY, Lubna, Siddiqi H, Naz A.. (2011) Isolation of nematicidal compounds from Tagetes patula L. yellow flowers: structure-activity relationship studies against cyst nematode Heterodera zeae infective stage larvae., 59 (17): [PMID:21780738] [10.1021/jf201611b] |
Source
Source(1):