| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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CHLOROPHORIN
ID: ALA2227759
Max Phase: Preclinical
Molecular Formula: C24H28O4
Molecular Weight: 380.48
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CC(C)=CCC/C(C)=C/Cc1c(O)cc(/C=C/c2ccc(O)cc2O)cc1O
Standard InChI: InChI=1S/C24H28O4/c1-16(2)5-4-6-17(3)7-12-21-23(27)13-18(14-24(21)28)8-9-19-10-11-20(25)15-22(19)26/h5,7-11,13-15,25-28H,4,6,12H2,1-3H3/b9-8+,17-7+
Standard InChI Key: OEILZVSHVTYHKL-MZYNZGBKSA-N
Associated Targets(non-human)
Botrytis cinerea 4183 Activities
Phomopsis obscurans 86 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Diaporthe ampelina 88 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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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: 380.48 | Molecular Weight (Monoisotopic): 380.1988 | AlogP: 5.91 | #Rotatable Bonds: 7 |
| Polar Surface Area: 80.92 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 4 |
| #RO5 Violations: 1 | HBA (Lipinski): 4 | HBD (Lipinski): 4 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 8.33 | CX Basic pKa: | CX LogP: 6.49 | CX LogD: 6.44 |
| Aromatic Rings: 2 | Heavy Atoms: 28 | QED Weighted: 0.36 | Np Likeness Score: 1.75 |
References
| 1. Sobolev VS, Khan SI, Tabanca N, Wedge DE, Manly SP, Cutler SJ, Coy MR, Becnel JJ, Neff SA, Gloer JB.. (2011) Biological activity of peanut (Arachis hypogaea) phytoalexins and selected natural and synthetic Stilbenoids., 59 (5): [PMID:21314127] [10.1021/jf104742n] |
Source
Source(1):