| Record Information |
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| Version | 2.0 |
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| Created at | 2022-09-07 04:24:20 UTC |
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| Updated at | 2022-09-07 04:24:20 UTC |
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| NP-MRD ID | NP0243779 |
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| Secondary Accession Numbers | None |
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| Natural Product Identification |
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| Common Name | 5-hydroxy-3-(4-hydroxy-2-methoxyphenyl)-8,8-dimethyl-10-(3-methylbut-2-en-1-yl)-2h,3h-pyrano[3,2-g]chromen-4-one |
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| Description | 5-Hydroxy-3-(4-hydroxy-2-methoxyphenyl)-8,8-dimethyl-10-(3-methylbut-2-en-1-yl)-2H,3H,4H,8H-pyrano[3,2-g]chromen-4-one belongs to the class of organic compounds known as 8-prenylated isoflavanones. These are isoflavanones featuring a C5-isoprenoid unit at the 8-position. 5-hydroxy-3-(4-hydroxy-2-methoxyphenyl)-8,8-dimethyl-10-(3-methylbut-2-en-1-yl)-2h,3h-pyrano[3,2-g]chromen-4-one is found in Erythrina variegata. 5-Hydroxy-3-(4-hydroxy-2-methoxyphenyl)-8,8-dimethyl-10-(3-methylbut-2-en-1-yl)-2H,3H,4H,8H-pyrano[3,2-g]chromen-4-one is an extremely weak basic (essentially neutral) compound (based on its pKa). |
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| Structure | COC1=CC(O)=CC=C1C1COC2=C(CC=C(C)C)C3=C(C=CC(C)(C)O3)C(O)=C2C1=O InChI=1S/C26H28O6/c1-14(2)6-8-18-24-17(10-11-26(3,4)32-24)22(28)21-23(29)19(13-31-25(18)21)16-9-7-15(27)12-20(16)30-5/h6-7,9-12,19,27-28H,8,13H2,1-5H3 |
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| Synonyms | Not Available |
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| Chemical Formula | C26H28O6 |
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| Average Mass | 436.5040 Da |
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| Monoisotopic Mass | 436.18859 Da |
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| IUPAC Name | 9-hydroxy-6-(4-hydroxy-2-methoxyphenyl)-13,13-dimethyl-2-(3-methylbut-2-en-1-yl)-4,14-dioxatricyclo[8.4.0.0³,⁸]tetradeca-1(10),2,8,11-tetraen-7-one |
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| Traditional Name | 9-hydroxy-6-(4-hydroxy-2-methoxyphenyl)-13,13-dimethyl-2-(3-methylbut-2-en-1-yl)-4,14-dioxatricyclo[8.4.0.0³,⁸]tetradeca-1(10),2,8,11-tetraen-7-one |
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| CAS Registry Number | Not Available |
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| SMILES | COC1=CC(O)=CC=C1C1COC2=C(CC=C(C)C)C3=C(C=CC(C)(C)O3)C(O)=C2C1=O |
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| InChI Identifier | InChI=1S/C26H28O6/c1-14(2)6-8-18-24-17(10-11-26(3,4)32-24)22(28)21-23(29)19(13-31-25(18)21)16-9-7-15(27)12-20(16)30-5/h6-7,9-12,19,27-28H,8,13H2,1-5H3 |
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| InChI Key | UMUDFLULLJLISJ-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 8-prenylated isoflavanones. These are isoflavanones featuring a C5-isoprenoid unit at the 8-position. |
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| Kingdom | Organic compounds |
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| Super Class | Phenylpropanoids and polyketides |
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| Class | Isoflavonoids |
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| Sub Class | Isoflavans |
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| Direct Parent | 8-prenylated isoflavanones |
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| Alternative Parents | |
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| Substituents | - 8-prenylated isoflavanone
- 2p-methoxyisoflavonoid-skeleton
- Hydroxyisoflavonoid
- Isoflavanol
- Pyranochromene
- 2,2-dimethyl-1-benzopyran
- Chromone
- Chromane
- Benzopyran
- Methoxyphenol
- 1-benzopyran
- Phenoxy compound
- Anisole
- Phenol ether
- Methoxybenzene
- Aryl alkyl ketone
- Aryl ketone
- Phenol
- Alkyl aryl ether
- 1-hydroxy-2-unsubstituted benzenoid
- Monocyclic benzene moiety
- Benzenoid
- Vinylogous acid
- Ketone
- Oxacycle
- Ether
- Organoheterocyclic compound
- Organooxygen compound
- Hydrocarbon derivative
- Organic oxide
- Organic oxygen compound
- Aromatic heteropolycyclic compound
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| Molecular Framework | Aromatic heteropolycyclic 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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