Record Information |
---|
Version | 2.0 |
---|
Created at | 2024-02-22 00:17:36 UTC |
---|
Updated at | 2024-09-03 04:19:32 UTC |
---|
NP-MRD ID | NP0332538 |
---|
Natural Product DOI | https://doi.org/10.57994/1794 |
---|
Secondary Accession Numbers | None |
---|
Natural Product Identification |
---|
Common Name | Prisconnatanone T |
---|
Description | Prisconnatanone T belongs to the class of organic compounds known as hydroxyanthraquinones. Hydroxyanthraquinones are compounds containing a hydroxyanthraquinone moiety, which consists of an anthracene bearing a quinone, and hydroxyl group. Based on a literature review very few articles have been published on Prisconnatanone T. |
---|
Structure | COC1=C(OC)C(OC)=C2C(=O)C3=C([C@H](O)[C@H](O)[C@@H](C)C3)C(=O)C2=C1 InChI=1S/C18H20O7/c1-7-5-8-11(16(22)13(7)19)14(20)9-6-10(23-2)17(24-3)18(25-4)12(9)15(8)21/h6-7,13,16,19,22H,5H2,1-4H3/t7-,13+,16-/m0/s1 |
---|
Synonyms | Not Available |
---|
Chemical Formula | C18H20O7 |
---|
Average Mass | 348.3510 Da |
---|
Monoisotopic Mass | 348.12090 Da |
---|
IUPAC Name | (1S,2R,3S)-1,2-dihydroxy-5,6,7-trimethoxy-3-methyl-1,2,3,4,9,10-hexahydroanthracene-9,10-dione |
---|
Traditional Name | (1S,2R,3S)-1,2-dihydroxy-5,6,7-trimethoxy-3-methyl-1,2,3,4-tetrahydroanthracene-9,10-dione |
---|
CAS Registry Number | Not Available |
---|
SMILES | COC1=C(OC)C(OC)=C2C(=O)C3=C([C@H](O)[C@H](O)[C@@H](C)C3)C(=O)C2=C1 |
---|
InChI Identifier | InChI=1S/C18H20O7/c1-7-5-8-11(16(22)13(7)19)14(20)9-6-10(23-2)17(24-3)18(25-4)12(9)15(8)21/h6-7,13,16,19,22H,5H2,1-4H3/t7-,13+,16-/m0/s1 |
---|
InChI Key | JLZIHCPLDFQVIX-GKPADCEHSA-N |
---|
Experimental Spectra |
---|
|
| Spectrum Type | Description | Depositor Email | Depositor Organization | Depositor | Deposition Date | View |
---|
HSQC NMR | [1H, 13C] NMR Spectrum (2D, 600 MHz, CDCL3, experimental) | chenxinyi@imm.ac.cn | Institute of Materia Medica, Chinese Academy of Medical Sciences and Peking Union Medical College | Xinyi Chen | 2024-02-22 | View Spectrum | HMBC NMR | [1H, 13C] NMR Spectrum (2D, 600 MHz, CDCL3, experimental) | chenxinyi@imm.ac.cn | Institute of Materia Medica, Chinese Academy of Medical Sciences and Peking Union Medical College | Xinyi Chen | 2024-02-22 | View Spectrum | COSY NMR | [1H, 1H] NMR Spectrum (2D, 600 MHz, CDCL3, experimental) | chenxinyi@imm.ac.cn | Institute of Materia Medica, Chinese Academy of Medical Sciences and Peking Union Medical College | Xinyi Chen | 2024-02-22 | View Spectrum | NOESY NMR | [1H, 1H] NMR Spectrum (2D, 600 MHz, CDCL3, experimental) | chenxinyi@imm.ac.cn | Institute of Materia Medica, Chinese Academy of Medical Sciences and Peking Union Medical College | Xinyi Chen | 2024-02-22 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, CDCL3, experimental) | chenxinyi@imm.ac.cn | Institute of Materia Medica, Chinese Academy of Medical Sciences and Peking Union Medical College | Xinyi Chen | 2024-02-22 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 151 MHz, CDCL3, experimental) | chenxinyi@imm.ac.cn | Institute of Materia Medica, Chinese Academy of Medical Sciences and Peking Union Medical College | Xinyi Chen | 2024-02-22 | View Spectrum |
| Predicted Spectra |
---|
|
| Not Available | Chemical Shift Submissions |
---|
|
| Not Available | Species |
---|
Species of Origin | Not Available |
---|
Chemical Taxonomy |
---|
Description | This compound belongs to the class of organic compounds known as hydroxyanthraquinones. These are compounds containing a hydroxyanthraquinone moiety, which consists of an anthracene bearing a quinone, and hydroxyl group. |
---|
Kingdom | Organic compounds |
---|
Super Class | Benzenoids |
---|
Class | Anthracenes |
---|
Sub Class | Anthraquinones |
---|
Direct Parent | Hydroxyanthraquinones |
---|
Alternative Parents | |
---|
Substituents | - Hydroxyanthraquinone
- Naphthalene
- Aryl ketone
- Quinone
- Quinomethane
- O-quinomethane
- M-quinomethane
- Anisole
- Cyclohexenone
- Alkyl aryl ether
- Alpha-branched alpha,beta-unsaturated-ketone
- Beta-hydroxy ketone
- Alpha,beta-unsaturated ketone
- Enone
- Acryloyl-group
- Secondary alcohol
- Ketone
- Ether
- Organic oxygen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- Alcohol
- Aromatic homopolycyclic compound
|
---|
Molecular Framework | Aromatic homopolycyclic compounds |
---|
External Descriptors | Not Available |
---|
Physical Properties |
---|
State | Not Available |
---|
Experimental Properties | Property | Value | Reference |
---|
Melting Point | Not Available | Not Available | Boiling Point | Not Available | Not Available | Water Solubility | Not Available | Not Available | LogP | Not Available | Not Available |
|
---|
Predicted Properties | |
---|