Record Information |
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Version | 1.0 |
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Created at | 2022-04-29 01:38:33 UTC |
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Updated at | 2022-04-29 01:38:33 UTC |
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NP-MRD ID | NP0080635 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | (+)-Goniolactone D |
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Description | Goniolactone D belongs to the class of organic compounds known as linear diarylheptanoids. These are diarylheptanoids with an open heptane chain. The two aromatic rings are linked only by the heptane chain. (+)-Goniolactone D is found in Goniothalamus cheliensis. Based on a literature review very few articles have been published on Goniolactone D. |
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Structure | O[C@H]([C@@H](C1=CC=CC=C1)C1=C(O)C2=C(O[C@@H](CC2=O)C2=CC=CC=C2)C=C1O)[C@@H]1OC(=O)C=C[C@@H]1O InChI=1S/C28H24O8/c29-17-11-12-22(32)36-28(17)27(34)23(16-9-5-2-6-10-16)25-19(31)14-21-24(26(25)33)18(30)13-20(35-21)15-7-3-1-4-8-15/h1-12,14,17,20,23,27-29,31,33-34H,13H2/t17-,20-,23-,27+,28+/m0/s1 |
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Synonyms | Not Available |
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Chemical Formula | C28H24O8 |
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Average Mass | 488.4920 Da |
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Monoisotopic Mass | 488.14712 Da |
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IUPAC Name | (2S)-5,7-dihydroxy-6-[(1S,2R)-2-hydroxy-2-[(2R,3S)-3-hydroxy-6-oxo-3,6-dihydro-2H-pyran-2-yl]-1-phenylethyl]-2-phenyl-3,4-dihydro-2H-1-benzopyran-4-one |
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Traditional Name | (2S)-5,7-dihydroxy-6-[(1S,2R)-2-hydroxy-2-[(2R,3S)-3-hydroxy-6-oxo-2,3-dihydropyran-2-yl]-1-phenylethyl]-2-phenyl-2,3-dihydro-1-benzopyran-4-one |
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CAS Registry Number | Not Available |
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SMILES | O[C@H]([C@@H](C1=CC=CC=C1)C1=C(O)C2=C(O[C@@H](CC2=O)C2=CC=CC=C2)C=C1O)[C@@H]1OC(=O)C=C[C@@H]1O |
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InChI Identifier | InChI=1S/C28H24O8/c29-17-11-12-22(32)36-28(17)27(34)23(16-9-5-2-6-10-16)25-19(31)14-21-24(26(25)33)18(30)13-20(35-21)15-7-3-1-4-8-15/h1-12,14,17,20,23,27-29,31,33-34H,13H2/t17-,20-,23-,27+,28+/m0/s1 |
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InChI Key | ZOTIODGSKVLBQV-NUNLBYKESA-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 linear diarylheptanoids. These are diarylheptanoids with an open heptane chain. The two aromatic rings are linked only by the heptane chain. |
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Kingdom | Organic compounds |
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Super Class | Phenylpropanoids and polyketides |
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Class | Diarylheptanoids |
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Sub Class | Linear diarylheptanoids |
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Direct Parent | Linear diarylheptanoids |
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Alternative Parents | |
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Substituents | - Linear 1,7-diphenylheptane skeleton
- Hydroxyflavonoid
- 5-hydroxyflavonoid
- 7-hydroxyflavonoid
- Flavanone
- Flavan
- Chromone
- 1-benzopyran
- Chromane
- Benzopyran
- Aryl alkyl ketone
- Aryl ketone
- Phenol
- Alkyl aryl ether
- 1-hydroxy-2-unsubstituted benzenoid
- 1-hydroxy-4-unsubstituted benzenoid
- Dihydropyranone
- Monocyclic benzene moiety
- Benzenoid
- Pyran
- Enoate ester
- Alpha,beta-unsaturated carboxylic ester
- Vinylogous acid
- Lactone
- Ketone
- Secondary alcohol
- Carboxylic acid ester
- Monocarboxylic acid or derivatives
- Oxacycle
- Organoheterocyclic compound
- Carboxylic acid derivative
- Ether
- Organooxygen compound
- Organic oxygen compound
- Alcohol
- Carbonyl group
- Hydrocarbon derivative
- Organic oxide
- 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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