| Record Information |
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| Version | 2.0 |
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| Created at | 2024-06-03 03:49:34 UTC |
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| Updated at | 2025-02-11 15:47:41 UTC |
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| NP-MRD ID | NP0333343 |
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| Natural Product DOI | https://doi.org/10.57994/2701 |
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| Secondary Accession Numbers | None |
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| Natural Product Identification |
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| Common Name | unantimycin H1 |
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| Description | Unantimycin H1 belongs to the class of organic compounds known as cyclic depsipeptides. These are natural or synthetic compounds having sequences of amino and hydroxy carboxylic acid residues (usually α-amino and α-hydroxy acids) connected in a ring. The residues are commonly but not necessarily regularly alternating. unantimycin H1 was first documented in 2024 (PMID: 38662398). Based on a literature review very few articles have been published on unantimycin H1. |
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| Structure | CC[C@H](C)[C@@H]1OC(=O)C(C)(C)C(=O)[C@H](CC2=CC=CC=C2)OC(=O)[C@@H](OC(=O)[C@@H](NC(=O)C2=CC=CC=C2)[C@@H](C)OC1=O)C(C)C InChI=1S/C35H43NO10/c1-8-21(4)28-33(41)43-22(5)26(36-30(38)24-17-13-10-14-18-24)31(39)45-27(20(2)3)32(40)44-25(19-23-15-11-9-12-16-23)29(37)35(6,7)34(42)46-28/h9-18,20-22,25-28H,8,19H2,1-7H3,(H,36,38)/t21-,22+,25-,26-,27-,28-/m0/s1 |
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| Synonyms | Not Available |
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| Chemical Formula | C35H43NO10 |
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| Average Mass | 637.7260 Da |
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| Monoisotopic Mass | 637.28870 Da |
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| IUPAC Name | N-[(3S,6S,7R,10S,15S)-15-benzyl-10-[(2S)-butan-2-yl]-7,13,13-trimethyl-2,5,9,12,14-pentaoxo-3-(propan-2-yl)-1,4,8,11-tetraoxacyclopentadecan-6-yl]benzamide |
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| Traditional Name | N-[(3S,6S,7R,10S,15S)-15-benzyl-10-[(2S)-butan-2-yl]-3-isopropyl-7,13,13-trimethyl-2,5,9,12,14-pentaoxo-1,4,8,11-tetraoxacyclopentadecan-6-yl]benzamide |
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| CAS Registry Number | Not Available |
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| SMILES | CC[C@H](C)[C@@H]1OC(=O)C(C)(C)C(=O)[C@H](CC2=CC=CC=C2)OC(=O)[C@@H](OC(=O)[C@@H](NC(=O)C2=CC=CC=C2)[C@@H](C)OC1=O)C(C)C |
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| InChI Identifier | InChI=1S/C35H43NO10/c1-8-21(4)28-33(41)43-22(5)26(36-30(38)24-17-13-10-14-18-24)31(39)45-27(20(2)3)32(40)44-25(19-23-15-11-9-12-16-23)29(37)35(6,7)34(42)46-28/h9-18,20-22,25-28H,8,19H2,1-7H3,(H,36,38)/t21-,22+,25-,26-,27-,28-/m0/s1 |
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| InChI Key | QBIMWCNHVNKFSY-ZNHNOHBUSA-N |
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| Experimental Spectra |
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| | Spectrum Type | Description | Depositor Email | Depositor Organization | Depositor | Deposition Date | View |
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| | Predicted Spectra |
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| Not Available | | Chemical Shift Submissions |
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| | Spectrum Type | Description | Depositor Email | Depositor Organization | Depositor | Deposition Date | View |
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| 1D NMR | 1H NMR Spectrum (1D, 800.32494218, C2D6OS, simulated) | 545627089@qq.com | Not Available | Li zhengyuan | 2024-06-03 | View Spectrum |
| | Species |
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| Species of Origin | | Species Name | Source | Reference |
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| Streptomyces conglobatus RJ2 | | |
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| Chemical Taxonomy |
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| Description | This compound belongs to the class of organic compounds known as cyclic depsipeptides. These are natural or synthetic compounds having sequences of amino and hydroxy carboxylic acid residues (usually α-amino and α-hydroxy acids) connected in a ring. The residues are commonly but not necessarily regularly alternating. |
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| Kingdom | Organic compounds |
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| Super Class | Organic acids and derivatives |
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| Class | Peptidomimetics |
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| Sub Class | Depsipeptides |
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| Direct Parent | Cyclic depsipeptides |
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| Alternative Parents | |
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| Substituents | - Cyclic depsipeptide
- Tetracarboxylic acid or derivatives
- N-acyl-alpha amino acid or derivatives
- Macrolactam
- Alpha-amino acid ester
- Alpha-amino acid or derivatives
- Benzoic acid or derivatives
- Benzamide
- Benzoyl
- Alpha-acyloxy ketone
- Fatty acid ester
- Beta-keto acid
- Fatty acyl
- Benzenoid
- N-acyl-amine
- Monosaccharide
- Keto acid
- Monocyclic benzene moiety
- Cyclic ketone
- Lactone
- Ketone
- Carboxylic acid ester
- Carboxamide group
- Oxacycle
- Organoheterocyclic compound
- Carboxylic acid derivative
- Organic nitrogen compound
- Organic oxygen compound
- Organopnictogen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- Organonitrogen compound
- Aromatic heteromonocyclic compound
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| Molecular Framework | Aromatic heteromonocyclic 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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