Record Information |
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Version | 1.0 |
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Created at | 2021-01-06 08:11:54 UTC |
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Updated at | 2021-07-15 17:40:45 UTC |
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NP-MRD ID | NP0023070 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | GERI-BP002-A |
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Provided By | NPAtlas![NPAtlas Logo](/attributions/npatlas_logo_square_small.png) |
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Description | 2,2'-Methylenebis(4-methyl-6-tert-butylphenol), also known as geri-BP002-a or MBMBP, belongs to the class of organic compounds known as diphenylmethanes. Diphenylmethanes are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups. GERI-BP002-A is found in Aspergillus and Aspergillus fumigatus. It was first documented in 1996 (PMID: 8609082). Based on a literature review a small amount of articles have been published on 2,2'-Methylenebis(4-methyl-6-tert-butylphenol) (PMID: 32806439) (PMID: 31702911) (PMID: 28233198) (PMID: 16231125). |
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Structure | [H]OC1=C(C([H])=C(C([H])=C1C([H])([H])C1=C(O[H])C(=C([H])C(=C1[H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H] InChI=1S/C23H32O2/c1-14-9-16(20(24)18(11-14)22(3,4)5)13-17-10-15(2)12-19(21(17)25)23(6,7)8/h9-12,24-25H,13H2,1-8H3 |
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Synonyms | Value | Source |
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2,2'-Methylenebis(6-tert-butyl-4-cresol) | HMDB | GERI-BP002-a | HMDB | MBMBP | HMDB | Bis(2-hydroxy-3-tert-butyl-5-methylphenyl)methane | HMDB | 2,2'-Methylenebis(4-methyl-6-tert-butylphenol) | MeSH |
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Chemical Formula | C23H32O2 |
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Average Mass | 340.5070 Da |
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Monoisotopic Mass | 340.24023 Da |
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IUPAC Name | 2-tert-butyl-6-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-4-methylphenol |
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Traditional Name | cyanox 2246 |
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CAS Registry Number | Not Available |
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SMILES | CC1=CC(CC2=C(O)C(=CC(C)=C2)C(C)(C)C)=C(O)C(=C1)C(C)(C)C |
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InChI Identifier | InChI=1S/C23H32O2/c1-14-9-16(20(24)18(11-14)22(3,4)5)13-17-10-15(2)12-19(21(17)25)23(6,7)8/h9-12,24-25H,13H2,1-8H3 |
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InChI Key | KGRVJHAUYBGFFP-UHFFFAOYSA-N |
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Experimental Spectra |
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| Not Available | Predicted Spectra |
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| Spectrum Type | Description | Depositor ID | Depositor Organization | Depositor | Deposition Date | View |
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1D NMR | 13C NMR Spectrum (1D, 25 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 100 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 252 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 1000 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 50 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 200 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 75 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 300 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 101 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 400 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 126 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 500 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 151 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 176 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 700 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 201 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 800 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 226 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 900 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum |
| Chemical Shift Submissions |
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| Not Available | Species |
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Species of Origin | |
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Chemical Taxonomy |
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Description | Belongs to the class of organic compounds known as diphenylmethanes. Diphenylmethanes are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups. |
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Kingdom | Organic compounds |
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Super Class | Benzenoids |
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Class | Benzene and substituted derivatives |
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Sub Class | Diphenylmethanes |
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Direct Parent | Diphenylmethanes |
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Alternative Parents | Not Available |
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Substituents | Not Available |
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Molecular Framework | Aromatic homomonocyclic compounds |
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External Descriptors | Not Available |
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Physical Properties |
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State | Not Available |
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Experimental Properties | Property | Value | Reference |
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Melting Point | Not Available | Not Available | Boiling Point | Not Available | Not Available | Water Solubility | Not Available | Not Available | LogP | Not Available | Not Available |
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Predicted Properties | |
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General References | - Kim YK, Lee HW, Son KH, Kwon BM, Jeong TS, Lee DH, Shin J, Seo Y, Kim SU, Bok SH: GERI-BP002-A, novel inhibitor of acyl-CoA: cholesterol acyltransferase produced by Aspergillus fumigatus F93. J Antibiot (Tokyo). 1996 Jan;49(1):31-6. doi: 10.7164/antibiotics.49.31. [PubMed:8609082 ]
- Ma C, Jia S, Yuan P, He Z: Catalytic ozonation of 2, 2'-methylenebis (4-methyl-6-tert-butylphenol) over nano-Fe3O4@cow dung ash composites: Optimization, toxicity, and degradation mechanisms. Environ Pollut. 2020 Oct;265(Pt B):114597. doi: 10.1016/j.envpol.2020.114597. Epub 2020 Apr 22. [PubMed:32806439 ]
- Du B, Zhang Y, Lam JCW, Pan S, Huang Y, Chen B, Lan S, Li J, Luo D, Zeng L: Prevalence, Biotransformation, and Maternal Transfer of Synthetic Phenolic Antioxidants in Pregnant Women from South China. Environ Sci Technol. 2019 Dec 3;53(23):13959-13969. doi: 10.1021/acs.est.9b04709. Epub 2019 Nov 15. [PubMed:31702911 ]
- Rashedul HK, Kalam MA, Masjuki HH, Teoh YH, How HG, Monirul IM, Imdadul HK: Attempts to minimize nitrogen oxide emission from diesel engine by using antioxidant-treated diesel-biodiesel blend. Environ Sci Pollut Res Int. 2017 Apr;24(10):9305-9313. doi: 10.1007/s11356-017-8573-9. Epub 2017 Feb 23. [PubMed:28233198 ]
- Takahashi O, Oishi S: Male reproductive toxicity of four bisphenol antioxidants in mice and rats and their estrogenic effect. Arch Toxicol. 2006 Apr;80(4):225-41. doi: 10.1007/s00204-005-0033-5. [PubMed:16231125 ]
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