| Record Information |
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| Version | 2.0 |
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| Created at | 2022-09-06 00:35:05 UTC |
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| Updated at | 2022-09-06 00:35:05 UTC |
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| NP-MRD ID | NP0222685 |
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| Secondary Accession Numbers | None |
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| Natural Product Identification |
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| Common Name | 4,4'-bis(2,4,6-trihydroxyphenoxy)-[1,1'-biphenyl]-2,2',6,6'-tetrol |
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| Description | 4,4'-Bis(2,4,6-trihydroxyphenoxy)-[1,1'-biphenyl]-2,2',6,6'-tetrol belongs to the class of organic compounds known as tannins. These are naturally occurring polyphenols which be categorized into four main classes: Hydrolyzable tannin (based on ellagic acid or gallic acid), condensed tannins (made of oligomeric or polymeric proanthocyanidins), complex tannins (made of a catechin bound to a gallotannin or elagitannin), and phlorotannins (oligomers of phloroglucinol). 4,4'-bis(2,4,6-trihydroxyphenoxy)-[1,1'-biphenyl]-2,2',6,6'-tetrol is found in Sargassum spinuligerum. Based on a literature review very few articles have been published on 4,4'-bis(2,4,6-trihydroxyphenoxy)-[1,1'-biphenyl]-2,2',6,6'-tetrol. |
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| Structure | OC1=CC(O)=C(OC2=CC(O)=C(C(O)=C2)C2=C(O)C=C(OC3=C(O)C=C(O)C=C3O)C=C2O)C(O)=C1 InChI=1S/C24H18O12/c25-9-1-17(31)23(18(32)2-9)35-11-5-13(27)21(14(28)6-11)22-15(29)7-12(8-16(22)30)36-24-19(33)3-10(26)4-20(24)34/h1-8,25-34H |
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| Synonyms | Not Available |
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| Chemical Formula | C24H18O12 |
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| Average Mass | 498.3960 Da |
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| Monoisotopic Mass | 498.07983 Da |
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| IUPAC Name | 4,4'-bis(2,4,6-trihydroxyphenoxy)-[1,1'-biphenyl]-2,2',6,6'-tetrol |
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| Traditional Name | 4,4'-bis(2,4,6-trihydroxyphenoxy)-[1,1'-biphenyl]-2,2',6,6'-tetrol |
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| CAS Registry Number | Not Available |
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| SMILES | OC1=CC(O)=C(OC2=CC(O)=C(C(O)=C2)C2=C(O)C=C(OC3=C(O)C=C(O)C=C3O)C=C2O)C(O)=C1 |
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| InChI Identifier | InChI=1S/C24H18O12/c25-9-1-17(31)23(18(32)2-9)35-11-5-13(27)21(14(28)6-11)22-15(29)7-12(8-16(22)30)36-24-19(33)3-10(26)4-20(24)34/h1-8,25-34H |
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| InChI Key | BICWTCCUKKMENM-UHFFFAOYSA-N |
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| Experimental Spectra |
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| Not Available | | Predicted Spectra |
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| Not Available | | 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 tannins. These are naturally occurring polyphenols which be categorized into four main classes: Hydrolyzable tannin (based on ellagic acid or gallic acid), condensed tannins (made of oligomeric or polymeric proanthocyanidins), complex tannins (made of a catechin bound to a gallotannin or elagitannin), and phlorotannins (oligomers of phloroglucinol). |
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| Kingdom | Organic compounds |
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| Super Class | Phenylpropanoids and polyketides |
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| Class | Tannins |
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| Sub Class | Not Available |
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| Direct Parent | Tannins |
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| Alternative Parents | |
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| Substituents | - Tannin
- Diphenylether
- Biphenyl
- Diaryl ether
- Benzenetriol
- Phloroglucinol derivative
- Phenoxy compound
- Resorcinol
- Phenol ether
- 1-hydroxy-4-unsubstituted benzenoid
- 1-hydroxy-2-unsubstituted benzenoid
- Phenol
- Monocyclic benzene moiety
- Benzenoid
- Polyol
- Ether
- Hydrocarbon derivative
- Organooxygen compound
- Organic oxygen compound
- Aromatic homomonocyclic compound
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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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