Record Information |
---|
Version | 1.0 |
---|
Created at | 2022-09-08 14:24:03 UTC |
---|
Updated at | 2022-09-08 14:24:04 UTC |
---|
NP-MRD ID | NP0269076 |
---|
Secondary Accession Numbers | None |
---|
Natural Product Identification |
---|
Common Name | {16-methyl-17-oxa-1,11-diazapentacyclo[10.7.1.0²,⁷.0⁸,²⁰.0¹⁴,¹⁹]icosa-2(7),3,5,8(20),9,11-hexaen-15-yl}methanol |
---|
Description | {16-Methyl-17-oxa-1,11-diazapentacyclo[10.7.1.0²,⁷.0⁸,²⁰.0¹⁴,¹⁹]Icosa-2,4,6,8(20),9,11-hexaen-15-yl}methanol belongs to the class of organic compounds known as indolonaphthyridine alkaloids. These are a numerous and relatively straightforward subgroup of the b-carbolines, e.G. Canthin-6-one, in which an additional C3 unit is attached between C-1 and the indole nitrogen to form an additional ring. The group includes a few dimeric examples, such as Haplophytine. {16-methyl-17-oxa-1,11-diazapentacyclo[10.7.1.0²,⁷.0⁸,²⁰.0¹⁴,¹⁹]icosa-2(7),3,5,8(20),9,11-hexaen-15-yl}methanol is found in Strychnos hirsuta. {16-Methyl-17-oxa-1,11-diazapentacyclo[10.7.1.0²,⁷.0⁸,²⁰.0¹⁴,¹⁹]Icosa-2,4,6,8(20),9,11-hexaen-15-yl}methanol is a very strong basic compound (based on its pKa). |
---|
Structure | CC1OCC2C(CC3=NC=CC4=C3N2C2=C4C=CC=C2)C1CO InChI=1S/C19H20N2O2/c1-11-15(9-22)14-8-16-19-13(6-7-20-16)12-4-2-3-5-17(12)21(19)18(14)10-23-11/h2-7,11,14-15,18,22H,8-10H2,1H3 |
---|
Synonyms | Not Available |
---|
Chemical Formula | C19H20N2O2 |
---|
Average Mass | 308.3810 Da |
---|
Monoisotopic Mass | 308.15248 Da |
---|
IUPAC Name | {16-methyl-17-oxa-1,11-diazapentacyclo[10.7.1.0²,⁷.0⁸,²⁰.0¹⁴,¹⁹]icosa-2(7),3,5,8(20),9,11-hexaen-15-yl}methanol |
---|
Traditional Name | {16-methyl-17-oxa-1,11-diazapentacyclo[10.7.1.0²,⁷.0⁸,²⁰.0¹⁴,¹⁹]icosa-2(7),3,5,8(20),9,11-hexaen-15-yl}methanol |
---|
CAS Registry Number | Not Available |
---|
SMILES | CC1OCC2C(CC3=NC=CC4=C3N2C2=C4C=CC=C2)C1CO |
---|
InChI Identifier | InChI=1S/C19H20N2O2/c1-11-15(9-22)14-8-16-19-13(6-7-20-16)12-4-2-3-5-17(12)21(19)18(14)10-23-11/h2-7,11,14-15,18,22H,8-10H2,1H3 |
---|
InChI Key | GOBNRIRBGBIAHL-UHFFFAOYSA-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, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 100 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 252 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 1000 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 50 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 200 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 75 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 300 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 101 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 400 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 126 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 500 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 151 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 176 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 700 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 201 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 800 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 226 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 900 MHz, H2O, 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 indolonaphthyridine alkaloids. These are a numerous and relatively straightforward subgroup of the b-carbolines, e.G. Canthin-6-one, in which an additional C3 unit is attached between C-1 and the indole nitrogen to form an additional ring. The group includes a few dimeric examples, such as Haplophytine. |
---|
Kingdom | Organic compounds |
---|
Super Class | Alkaloids and derivatives |
---|
Class | Indolonaphthyridine alkaloids |
---|
Sub Class | Not Available |
---|
Direct Parent | Indolonaphthyridine alkaloids |
---|
Alternative Parents | |
---|
Substituents | - Indolo[3,2-1de][1,5]naphthyridine
- Beta-carboline
- Pyridoindole
- Diazanaphthalene
- Naphthyridine
- Indole
- Indole or derivatives
- Benzenoid
- Pyridine
- Oxane
- Heteroaromatic compound
- Pyrrole
- Azacycle
- Organoheterocyclic compound
- Oxacycle
- Dialkyl ether
- Ether
- Hydrocarbon derivative
- Organonitrogen compound
- Organic oxygen compound
- Alcohol
- Organooxygen compound
- Primary alcohol
- Organic nitrogen compound
- Organopnictogen compound
- 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 | |
---|