2-Biphenylol Details
: IUPAC Name
2-Phenylphenol
:Chemical Class
:CAS Registry Number
90-43-7
:Description
:Fragrance Type
Bitter aroma
Physical and Chemical properties
| PUBCHEM ID | 7017 |
| Molecular Weight (mg/mol) | 170.212 |
| Molecular Formula | C12H10O |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 0 |
| IUPAC Name | 2-Phenylphenol |
| Canonical SMILES | Oc1ccccc1c2ccccc2 |
| PUBCHEM IUPAC INCHIKEY | LLEMOWNGBBNAJR-UHFFFAOYSA-N |
| Solubility Level | 3 |
| Vapour Pressure | -3.823 |
Absorption and Metabolism information
| XLOGP3 AA | NA |
| CACTVS TPSA | 20.23 |
| BBB Level | 1 |
| Absorption Level | 0 |
| EXT PPB#Prediction | 1 |
| AlogP98 | 3.106 |
| EXT CYP2D6#Prediction | 0 |
Toxicological Information
| Mouse Female FDA | Non-Carcinogen |
| Mouse Male FDA | Multi-Carcinogen |
| Rat Female FDA | Non-Carcinogen |
| Rat Male FDA | Non-Carcinogen |
| Ames Prediction | Mutagen |
| Developmental / Reproductive Toxicity | Non-Toxic |
| Rat Oral LD50 | 0.811711 |
| Ocular Irritancy | Severe |
| Hepatotoxic#Prediction | 1 |
| Effected Human Genes | NA |
Ecological Information
| Aerobic Biodegradability Prediction | Non-Degradable |
Hazard(s) Identification
| Physical hazards | not classified |
| Health hazards | Mild |
| Environmental hazards | not classified |
Compound Biological Activity
| Serial No. | Cas No | Gene Symbol | Organism | Interaction | Interaction Actions | PubMed Id |
|---|---|---|---|---|---|---|
| 1 | 90-43-7 | AR | Homo sapiens | 2-phenylphenol inhibits the reaction [Dihydrotestosterone results in increased expression of AR mRNA] | decreases^reaction|increases^expression | 21310686 |
| 2 | 90-43-7 | AR | Homo sapiens | Dihydrotestosterone inhibits the reaction [2-phenylphenol results in increased activity of AR protein] | decreases^reaction|increases^activity | 15064155 |
| 3 | 90-43-7 | AR | Mus musculus | 2-phenylphenol results in decreased activity of AR protein | decreases^activity | 18294747 |
| 4 | 90-43-7 | CAT | Homo sapiens | CAT protein inhibits the reaction [[2-phenylphenol metabolite co-treated with NAD co-treated with Copper] results in increased mutagenesis of HRAS gene] | affects^cotreatment|decreases^reaction|increases^mutagenesis | 10334203 |
| 5 | 90-43-7 | CAT | Homo sapiens | CAT protein inhibits the reaction [[2-phenylphenol metabolite co-treated with NAD co-treated with Copper] results in increased mutagenesis of TP53 gene] | affects^cotreatment|decreases^reaction|increases^mutagenesis | 10334203 |
| 6 | 90-43-7 | CYP1A1 | Mus musculus | 2-phenylphenol results in increased expression of CYP1A1 mRNA | increases^expression | 23665931 |
| 7 | 90-43-7 | ESR1 | Homo sapiens | 2-phenylphenol binds to ESR1 protein | affects^binding | 12598185 |
| 8 | 90-43-7 | ESR1 | Homo sapiens | 2-phenylphenol results in decreased expression of ESR1 mRNA | decreases^expression | 12822488 |
| 9 | 90-43-7 | ESR1 | Homo sapiens | 2-phenylphenol results in increased expression of ESR1 mRNA | increases^expression | 12737316 |
| 10 | 90-43-7 | ESR2 | Homo sapiens | 2-phenylphenol results in increased expression of ESR2 mRNA | increases^expression | 12737316 |
| 11 | 90-43-7 | HRAS | Homo sapiens | [2-phenylphenol metabolite co-treated with NAD co-treated with Copper] results in increased mutagenesis of HRAS gene | affects^cotreatment|increases^mutagenesis | 10334203 |
| 12 | 90-43-7 | HRAS | Homo sapiens | bathocuproine inhibits the reaction [[2-phenylphenol metabolite co-treated with NAD co-treated with Copper] results in increased mutagenesis of HRAS gene] | affects^cotreatment|decreases^reaction|increases^mutagenesis | 10334203 |
| 13 | 90-43-7 | NR1I2 | Homo sapiens | 2-phenylphenol binds to and results in increased activity of NR1I2 protein | affects^binding|increases^activity | 21115097 |
| 14 | 90-43-7 | ORM1 | Mus musculus | 2-phenylphenol results in increased expression of ORM1 protein | increases^expression | 20025956 |
| 15 | 90-43-7 | PGR | Homo sapiens | 2-phenylphenol results in increased expression of PGR mRNA | increases^expression | 12822488 |
| 16 | 90-43-7 | PHEX | Mus musculus | 2-phenylphenol results in increased expression of PHEX protein | increases^expression | 20025956 |
| 17 | 90-43-7 | PTGS2 | Mus musculus | [2-phenylphenol binds to and results in decreased activity of PTGS2 protein] which results in decreased chemical synthesis of and results in decreased secretion of Prostaglandin D2 | affects^binding|decreases^activity|decreases^chemical synthesis|decreases^secretion | 26359731 |
| 18 | 90-43-7 | TP53 | Homo sapiens | [2-phenylphenol metabolite co-treated with NAD co-treated with Copper] results in increased mutagenesis of TP53 gene | affects^cotreatment|increases^mutagenesis | 10334203 |
| 19 | 90-43-7 | TP53 | Homo sapiens | bathocuproine inhibits the reaction [[2-phenylphenol metabolite co-treated with NAD co-treated with Copper] results in increased mutagenesis of TP53 gene] | affects^cotreatment|decreases^reaction|increases^mutagenesis | 10334203 |
| 20 | 90-43-7 | VEGFA | Mus musculus | 2-phenylphenol results in increased expression of VEGFA protein | increases^expression | 20025956 |
| Serial No. | Activity Name | Details | References (PubMed) | Other details EPA (U.S) | Clinical Trials (U.S. NIH) |
|---|---|---|---|---|---|
| 1 | 90-43-7 | 2-Biphenylol |
Compound Image
2D Structure
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