Record Information |
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Version | 1.0 |
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Created at | 2020-12-09 05:50:35 UTC |
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Updated at | 2021-07-15 16:59:40 UTC |
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NP-MRD ID | NP0008185 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | Cordyceamide B |
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Provided By | NPAtlas![NPAtlas Logo](/attributions/npatlas_logo_square_small.png) |
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Description | (2S)-N-[(2S)-1-(acetyloxy)-3-(4-hydroxyphenyl)propan-2-yl]-2-{[hydroxy(phenyl)methylidene]amino}-3-(4-hydroxyphenyl)propanimidic acid belongs to the class of organic compounds known as tyrosine and derivatives. Tyrosine and derivatives are compounds containing tyrosine or a derivative thereof resulting from reaction of tyrosine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. Cordyceamide B is found in Cordyceps and Ophiocordyceps sinensis. It was first documented in 2009 (PMID: 19122327). Based on a literature review very few articles have been published on (2S)-N-[(2S)-1-(acetyloxy)-3-(4-hydroxyphenyl)propan-2-yl]-2-{[hydroxy(phenyl)methylidene]amino}-3-(4-hydroxyphenyl)propanimidic acid. |
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Structure | [H]OC1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])[C@]([H])(N([H])C(=O)C1=C([H])C([H])=C([H])C([H])=C1[H])C(=O)N([H])[C@]([H])(C([H])([H])OC(=O)C([H])([H])[H])C([H])([H])C1=C([H])C([H])=C(O[H])C([H])=C1[H] InChI=1S/C27H28N2O6/c1-18(30)35-17-22(15-19-7-11-23(31)12-8-19)28-27(34)25(16-20-9-13-24(32)14-10-20)29-26(33)21-5-3-2-4-6-21/h2-14,22,25,31-32H,15-17H2,1H3,(H,28,34)(H,29,33)/t22-,25-/m0/s1 |
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Synonyms | Value | Source |
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(2S)-N-[(2S)-1-(Acetyloxy)-3-(4-hydroxyphenyl)propan-2-yl]-2-{[hydroxy(phenyl)methylidene]amino}-3-(4-hydroxyphenyl)propanimidate | Generator | N-Benzoyl-L-tyrosinyl-L-p-hydroxyphenylalaninol acetate | MeSH | N-Benzoyltyrosyl-4-hydroxyphenylalaninol acetate | MeSH |
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Chemical Formula | C27H28N2O6 |
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Average Mass | 476.5290 Da |
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Monoisotopic Mass | 476.19474 Da |
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IUPAC Name | (2S)-3-(4-hydroxyphenyl)-2-[(2S)-3-(4-hydroxyphenyl)-2-(phenylformamido)propanamido]propyl acetate |
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Traditional Name | (2S)-3-(4-hydroxyphenyl)-2-[(2S)-3-(4-hydroxyphenyl)-2-(phenylformamido)propanamido]propyl acetate |
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CAS Registry Number | Not Available |
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SMILES | CC(=O)OC[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)C1=CC=CC=C1 |
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InChI Identifier | InChI=1S/C27H28N2O6/c1-18(30)35-17-22(15-19-7-11-23(31)12-8-19)28-27(34)25(16-20-9-13-24(32)14-10-20)29-26(33)21-5-3-2-4-6-21/h2-14,22,25,31-32H,15-17H2,1H3,(H,28,34)(H,29,33)/t22-,25-/m0/s1 |
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InChI Key | LJDVXKFQELACJA-DHLKQENFSA-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 tyrosine and derivatives. Tyrosine and derivatives are compounds containing tyrosine or a derivative thereof resulting from reaction of tyrosine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. |
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Kingdom | Organic compounds |
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Super Class | Organic acids and derivatives |
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Class | Carboxylic acids and derivatives |
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Sub Class | Amino acids, peptides, and analogues |
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Direct Parent | Tyrosine and derivatives |
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Alternative Parents | |
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Substituents | - Tyrosine or derivatives
- Phenylalanine or derivatives
- Hippuric acid or derivatives
- N-acyl-alpha amino acid or derivatives
- Alpha-amino acid amide
- Amphetamine or derivatives
- Benzoic acid or derivatives
- Benzamide
- Benzoyl
- 1-hydroxy-2-unsubstituted benzenoid
- Phenol
- Monocyclic benzene moiety
- Fatty acyl
- Benzenoid
- Fatty amide
- Secondary carboxylic acid amide
- Carboxamide group
- Carboxylic acid ester
- Monocarboxylic acid or derivatives
- Organic nitrogen compound
- Organonitrogen compound
- Carbonyl group
- Organooxygen compound
- Hydrocarbon derivative
- Organic oxide
- Organopnictogen 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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