Record Information |
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Version | 1.0 |
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Created at | 2022-09-12 05:05:46 UTC |
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Updated at | 2022-09-12 05:05:46 UTC |
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NP-MRD ID | NP0324802 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | {6-[4-(3,5-dihydroxy-7-methoxy-4-oxo-2,3-dihydro-1-benzopyran-2-yl)phenoxy]-3,4,5-trihydroxyoxan-2-yl}methyl 3-(4-hydroxyphenyl)prop-2-enoate |
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Description | {6-[4-(3,5-Dihydroxy-7-methoxy-4-oxo-3,4-dihydro-2H-1-benzopyran-2-yl)phenoxy]-3,4,5-trihydroxyoxan-2-yl}methyl 3-(4-hydroxyphenyl)prop-2-enoate belongs to the class of organic compounds known as flavonoid o-glycosides. Flavonoid O-glycosides are compounds containing a carbohydrate moiety which is O-glycosidically linked to the 2-phenylchromen-4-one flavonoid backbone. {6-[4-(3,5-dihydroxy-7-methoxy-4-oxo-2,3-dihydro-1-benzopyran-2-yl)phenoxy]-3,4,5-trihydroxyoxan-2-yl}methyl 3-(4-hydroxyphenyl)prop-2-enoate is found in Corymbia maculata. Based on a literature review very few articles have been published on {6-[4-(3,5-dihydroxy-7-methoxy-4-oxo-3,4-dihydro-2H-1-benzopyran-2-yl)phenoxy]-3,4,5-trihydroxyoxan-2-yl}methyl 3-(4-hydroxyphenyl)prop-2-enoate. |
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Structure | COC1=CC(O)=C2C(=O)C(O)C(OC2=C1)C1=CC=C(OC2OC(COC(=O)C=CC3=CC=C(O)C=C3)C(O)C(O)C2O)C=C1 InChI=1S/C31H30O13/c1-40-19-12-20(33)24-21(13-19)43-30(28(38)26(24)36)16-5-9-18(10-6-16)42-31-29(39)27(37)25(35)22(44-31)14-41-23(34)11-4-15-2-7-17(32)8-3-15/h2-13,22,25,27-33,35,37-39H,14H2,1H3 |
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Synonyms | Value | Source |
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{6-[4-(3,5-dihydroxy-7-methoxy-4-oxo-3,4-dihydro-2H-1-benzopyran-2-yl)phenoxy]-3,4,5-trihydroxyoxan-2-yl}methyl 3-(4-hydroxyphenyl)prop-2-enoic acid | Generator |
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Chemical Formula | C31H30O13 |
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Average Mass | 610.5680 Da |
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Monoisotopic Mass | 610.16864 Da |
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IUPAC Name | {6-[4-(3,5-dihydroxy-7-methoxy-4-oxo-3,4-dihydro-2H-1-benzopyran-2-yl)phenoxy]-3,4,5-trihydroxyoxan-2-yl}methyl 3-(4-hydroxyphenyl)prop-2-enoate |
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Traditional Name | {6-[4-(3,5-dihydroxy-7-methoxy-4-oxo-2,3-dihydro-1-benzopyran-2-yl)phenoxy]-3,4,5-trihydroxyoxan-2-yl}methyl 3-(4-hydroxyphenyl)prop-2-enoate |
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CAS Registry Number | Not Available |
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SMILES | COC1=CC(O)=C2C(=O)C(O)C(OC2=C1)C1=CC=C(OC2OC(COC(=O)C=CC3=CC=C(O)C=C3)C(O)C(O)C2O)C=C1 |
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InChI Identifier | InChI=1S/C31H30O13/c1-40-19-12-20(33)24-21(13-19)43-30(28(38)26(24)36)16-5-9-18(10-6-16)42-31-29(39)27(37)25(35)22(44-31)14-41-23(34)11-4-15-2-7-17(32)8-3-15/h2-13,22,25,27-33,35,37-39H,14H2,1H3 |
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InChI Key | YYBSRAZZCBNBBC-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 flavonoid o-glycosides. Flavonoid O-glycosides are compounds containing a carbohydrate moiety which is O-glycosidically linked to the 2-phenylchromen-4-one flavonoid backbone. |
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Kingdom | Organic compounds |
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Super Class | Phenylpropanoids and polyketides |
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Class | Flavonoids |
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Sub Class | Flavonoid glycosides |
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Direct Parent | Flavonoid O-glycosides |
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Alternative Parents | |
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Substituents | - Flavonoid-4p-o-glycoside
- Flavonoid o-glycoside
- 7-methoxyflavonoid-skeleton
- Flavanone
- Flavanonol
- 3-hydroxyflavonoid
- 5-hydroxyflavonoid
- Hydroxyflavonoid
- Flavan
- Phenolic glycoside
- Coumaric acid ester
- Cinnamic acid or derivatives
- Cinnamic acid ester
- Coumaric acid or derivatives
- Hydroxycinnamic acid or derivatives
- Chromone
- O-glycosyl compound
- Glycosyl compound
- Benzopyran
- Chromane
- 1-benzopyran
- Phenoxy compound
- Anisole
- Aryl alkyl ketone
- Aryl ketone
- Styrene
- Phenol ether
- Alkyl aryl ether
- Fatty acid ester
- 1-hydroxy-2-unsubstituted benzenoid
- 1-hydroxy-4-unsubstituted benzenoid
- Phenol
- Monocyclic benzene moiety
- Monosaccharide
- Benzenoid
- Fatty acyl
- Oxane
- Vinylogous acid
- Alpha,beta-unsaturated carboxylic ester
- Enoate ester
- Ketone
- Secondary alcohol
- Carboxylic acid ester
- Polyol
- Carboxylic acid derivative
- Ether
- Monocarboxylic acid or derivatives
- Acetal
- Oxacycle
- Organoheterocyclic compound
- Organooxygen compound
- Organic oxygen compound
- Alcohol
- Organic oxide
- Hydrocarbon derivative
- Carbonyl group
- 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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