Record Information |
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Version | 2.0 |
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Created at | 2022-09-12 03:52:47 UTC |
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Updated at | 2022-09-12 03:52:47 UTC |
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NP-MRD ID | NP0324054 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | 8-(6-hydroxypentadecyl)-1,13-dimethyl-1,5,9,13-tetraazacycloheptadec-5-en-6-ol |
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Description | CHEMBL469082 belongs to the class of organic compounds known as macrolactams. These are cyclic amides of amino carboxylic acids, having a 1-azacycloalkan-2-one structure, or analogues having unsaturation or heteroatoms replacing one or more carbon atoms of the ring. They are nitrogen analogues (the a nitrogen atom replacing the o atom of the cyclic carboxylic acid group ) of the naturally occurring macrolides. 8-(6-hydroxypentadecyl)-1,13-dimethyl-1,5,9,13-tetraazacycloheptadec-5-en-6-ol is found in Albizia gummifera and Albizia schimperiana. Based on a literature review very few articles have been published on CHEMBL469082. |
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Structure | CCCCCCCCCC(O)CCCCCC1CC(O)=NCCCN(C)CCCCN(C)CCCN1 InChI=1S/C30H62N4O2/c1-4-5-6-7-8-9-12-19-29(35)20-13-10-11-18-28-27-30(36)32-22-17-26-34(3)24-15-14-23-33(2)25-16-21-31-28/h28-29,31,35H,4-27H2,1-3H3,(H,32,36) |
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Synonyms | Not Available |
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Chemical Formula | C30H62N4O2 |
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Average Mass | 510.8520 Da |
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Monoisotopic Mass | 510.48728 Da |
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IUPAC Name | 8-(6-hydroxypentadecyl)-1,13-dimethyl-1,5,9,13-tetraazacycloheptadec-5-en-6-ol |
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Traditional Name | 8-(6-hydroxypentadecyl)-1,13-dimethyl-1,5,9,13-tetraazacycloheptadec-5-en-6-ol |
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CAS Registry Number | Not Available |
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SMILES | CCCCCCCCCC(O)CCCCCC1CC(O)=NCCCN(C)CCCCN(C)CCCN1 |
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InChI Identifier | InChI=1S/C30H62N4O2/c1-4-5-6-7-8-9-12-19-29(35)20-13-10-11-18-28-27-30(36)32-22-17-26-34(3)24-15-14-23-33(2)25-16-21-31-28/h28-29,31,35H,4-27H2,1-3H3,(H,32,36) |
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InChI Key | PNURFNPZVHXXPD-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 macrolactams. These are cyclic amides of amino carboxylic acids, having a 1-azacycloalkan-2-one structure, or analogues having unsaturation or heteroatoms replacing one or more carbon atoms of the ring. They are nitrogen analogues (the a nitrogen atom replacing the o atom of the cyclic carboxylic acid group ) of the naturally occurring macrolides. |
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Kingdom | Organic compounds |
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Super Class | Phenylpropanoids and polyketides |
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Class | Macrolactams |
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Sub Class | Not Available |
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Direct Parent | Macrolactams |
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Alternative Parents | |
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Substituents | - Macrolactam
- Beta amino acid or derivatives
- Amino acid or derivatives
- Carboxamide group
- Lactam
- Secondary alcohol
- Tertiary aliphatic amine
- Tertiary amine
- Secondary carboxylic acid amide
- Carboxylic acid derivative
- Secondary aliphatic amine
- Azacycle
- Organoheterocyclic compound
- Secondary amine
- Hydrocarbon derivative
- Alcohol
- Organic oxide
- Carbonyl group
- Amine
- Organonitrogen compound
- Organooxygen compound
- Organic nitrogen compound
- Organic oxygen compound
- Aliphatic heteromonocyclic compound
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Molecular Framework | Aliphatic 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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