ID: ALA1374610
Chembl Id: CHEMBL1374610
Cas Number: 170310-00-6
PubChem CID: 676290
Max Phase: Preclinical
Molecular Formula: C15H10O4
Molecular Weight: 254.24
Molecule Type: Small molecule
Associated Items:
Synonyms: 2',4'-Dihydroxy Flavone | 2-(2,4-dihydroxyphenyl)chromen-4-one|170310-00-6|2',4'-dihydroxyflavone|4H-1-Benzopyran-4-one, 2-(2,4-dihydroxyphenyl)-|2-(2,4-Dihydroxyphenyl)-4H-chromen-4-one|TNP00049|2',4'-Dihydroxy Flavone|SCHEMBL4650047|CHEMBL1374610|DTXSID90350263|CZYNUKPCSYBXCE-UHFFFAOYSA-N|AKOS024282375|NCGC00017185-01|NCGC00017185-02|NCGC00142425-01
Canonical SMILES: O=c1cc(-c2ccc(O)cc2O)oc2ccccc12
Standard InChI: InChI=1S/C15H10O4/c16-9-5-6-11(12(17)7-9)15-8-13(18)10-3-1-2-4-14(10)19-15/h1-8,16-17H
Standard InChI Key: CZYNUKPCSYBXCE-UHFFFAOYSA-N
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| 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 |
| MESH ID | MESH Heading | EFO IDs | EFO Terms | Max Phase for Indication | References |
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| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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| Molecular Weight: 254.24 | Molecular Weight (Monoisotopic): 254.0579 | AlogP: 2.87 | #Rotatable Bonds: 1 |
| Polar Surface Area: 70.67 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 2 |
| #RO5 Violations: ┄ | HBA (Lipinski): 4 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): ┄ |
| CX Acidic pKa: 8.17 | CX Basic pKa: ┄ | CX LogP: 2.36 | CX LogD: 2.29 |
| Aromatic Rings: 3 | Heavy Atoms: 19 | QED Weighted: 0.70 | Np Likeness Score: 0.87 |
| 1. PubChem BioAssay data set, |
| 2. PubChem BioAssay data set, |
| 3. Liu X, Chan CB, Jang SW, Pradoldej S, Huang J, He K, Phun LH, France S, Xiao G, Jia Y, Luo HR, Ye K.. (2010) A synthetic 7,8-dihydroxyflavone derivative promotes neurogenesis and exhibits potent antidepressant effect., 53 (23): [PMID:21073191] [10.1021/jm101206p] |
| 4. Atrahimovich D, Vaya J, Khatib S.. (2013) The effects and mechanism of flavonoid-rePON1 interactions. Structure-activity relationship study., 21 (11): [PMID:23623675] [10.1016/j.bmc.2013.02.055] |
| 5. PubChem BioAssay data set, |
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