Record Information |
---|
Version | 1.0 |
---|
Created at | 2022-04-28 14:41:33 UTC |
---|
Updated at | 2022-04-28 14:41:33 UTC |
---|
NP-MRD ID | NP0069331 |
---|
Secondary Accession Numbers | None |
---|
Natural Product Identification |
---|
Common Name | (+)-(+)-2-N-Methylexcentricine |
---|
Description | (5R,7R,8S,9R)-15,16-dimethoxy-10-methyl-18-oxa-10-azatetracyclo[7.7.1.1²,⁸.0¹³,¹⁷]Octadeca-1(17),2,13,15-tetraene-5,7-diol belongs to the class of organic compounds known as tetrahydroisoquinolines. These are tetrahydrogenated isoquinoline derivatives. (+)-(+)-2-N-Methylexcentricine is found in Stephania excentrica. Based on a literature review very few articles have been published on (5R,7R,8S,9R)-15,16-dimethoxy-10-methyl-18-oxa-10-azatetracyclo[7.7.1.1²,⁸.0¹³,¹⁷]Octadeca-1(17),2,13,15-tetraene-5,7-diol. |
---|
Structure | COC1=C(OC)C2=C3[C@H]([C@@H]4OC2=CC[C@@H](O)C[C@H]4O)N(C)CCC3=C1 InChI=1S/C19H25NO5/c1-20-7-6-10-8-14(23-2)19(24-3)16-13-5-4-11(21)9-12(22)18(25-13)17(20)15(10)16/h5,8,11-12,17-18,21-22H,4,6-7,9H2,1-3H3/t11-,12-,17-,18-/m1/s1 |
---|
Synonyms | Not Available |
---|
Chemical Formula | C19H25NO5 |
---|
Average Mass | 347.4110 Da |
---|
Monoisotopic Mass | 347.17327 Da |
---|
IUPAC Name | (5R,7R,8S,9R)-15,16-dimethoxy-10-methyl-18-oxa-10-azatetracyclo[7.7.1.1^{2,8}.0^{13,17}]octadeca-1(17),2,13,15-tetraene-5,7-diol |
---|
Traditional Name | (5R,7R,8S,9R)-15,16-dimethoxy-10-methyl-18-oxa-10-azatetracyclo[7.7.1.1^{2,8}.0^{13,17}]octadeca-1(17),2,13,15-tetraene-5,7-diol |
---|
CAS Registry Number | Not Available |
---|
SMILES | COC1=C(OC)C2=C3[C@H]([C@@H]4OC2=CC[C@@H](O)C[C@H]4O)N(C)CCC3=C1 |
---|
InChI Identifier | InChI=1S/C19H25NO5/c1-20-7-6-10-8-14(23-2)19(24-3)16-13-5-4-11(21)9-12(22)18(25-13)17(20)15(10)16/h5,8,11-12,17-18,21-22H,4,6-7,9H2,1-3H3/t11-,12-,17-,18-/m1/s1 |
---|
InChI Key | OLOHLLRDMVSIEU-GWIYSAMLSA-N |
---|
Experimental Spectra |
---|
|
| Not Available | Predicted Spectra |
---|
|
| Spectrum Type | Description | Depositor ID | Depositor Organization | Depositor | Deposition Date | View |
---|
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 |
---|
|
| Not Available | Species |
---|
Species of Origin | |
---|
Chemical Taxonomy |
---|
Description | Belongs to the class of organic compounds known as tetrahydroisoquinolines. These are tetrahydrogenated isoquinoline derivatives. |
---|
Kingdom | Organic compounds |
---|
Super Class | Organoheterocyclic compounds |
---|
Class | Tetrahydroisoquinolines |
---|
Sub Class | Not Available |
---|
Direct Parent | Tetrahydroisoquinolines |
---|
Alternative Parents | |
---|
Substituents | - 2-benzopyran
- Tetrahydroisoquinoline
- Isochromane
- Benzopyran
- Anisole
- Aralkylamine
- Alkyl aryl ether
- Benzenoid
- Tertiary aliphatic amine
- Tertiary amine
- Secondary alcohol
- Oxacycle
- Azacycle
- Ether
- Organic nitrogen compound
- Organic oxygen compound
- Organopnictogen compound
- Hydrocarbon derivative
- Organooxygen compound
- Organonitrogen compound
- Amine
- Alcohol
- Aromatic heteropolycyclic compound
|
---|
Molecular Framework | Aromatic heteropolycyclic 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 | |
---|