Record Information |
---|
Version | 1.0 |
---|
Created at | 2021-06-19 17:32:44 UTC |
---|
Updated at | 2021-06-29 23:50:21 UTC |
---|
NP-MRD ID | NP0025410 |
---|
Secondary Accession Numbers | None |
---|
Natural Product Identification |
---|
Common Name | Dictyomedin A |
---|
Provided By | JEOL Database |
---|
Description | Dictyomedin A is found in Dictyostelium and Dictyostelium medium. It was first documented in 2001 (Takaya. Y., et al.). Based on a literature review very few articles have been published on 11-hydroxy-6-(4-hydroxy-3-methoxyphenyl)-12-methoxy-8-oxatricyclo[7.4.0.0²,⁷]Trideca-1(13),2,4,6,9,11-hexaene-4-carboxylic acid. |
---|
Structure | [H]OC(=O)C1=C([H])C(=C2OC3=C([H])C(O[H])=C(OC([H])([H])[H])C([H])=C3C2=C1[H])C1=C([H])C(OC([H])([H])[H])=C(O[H])C([H])=C1[H] InChI=1S/C21H16O7/c1-26-18-7-10(3-4-15(18)22)12-5-11(21(24)25)6-14-13-8-19(27-2)16(23)9-17(13)28-20(12)14/h3-9,22-23H,1-2H3,(H,24,25) |
---|
Synonyms | Value | Source |
---|
11-Hydroxy-6-(4-hydroxy-3-methoxyphenyl)-12-methoxy-8-oxatricyclo[7.4.0.0,]trideca-1(13),2,4,6,9,11-hexaene-4-carboxylate | Generator |
|
---|
Chemical Formula | C21H16O7 |
---|
Average Mass | 380.3520 Da |
---|
Monoisotopic Mass | 380.08960 Da |
---|
IUPAC Name | 11-hydroxy-6-(4-hydroxy-3-methoxyphenyl)-12-methoxy-8-oxatricyclo[7.4.0.0^{2,7}]trideca-1(13),2,4,6,9,11-hexaene-4-carboxylic acid |
---|
Traditional Name | 11-hydroxy-6-(4-hydroxy-3-methoxyphenyl)-12-methoxy-8-oxatricyclo[7.4.0.0^{2,7}]trideca-1(13),2,4,6,9,11-hexaene-4-carboxylic acid |
---|
CAS Registry Number | Not Available |
---|
SMILES | [H]OC(=O)C1=C([H])C(=C2OC3=C([H])C(O[H])=C(OC([H])([H])[H])C([H])=C3C2=C1[H])C1=C([H])C(OC([H])([H])[H])=C(O[H])C([H])=C1[H] |
---|
InChI Identifier | InChI=1S/C21H16O7/c1-26-18-7-10(3-4-15(18)22)12-5-11(21(24)25)6-14-13-8-19(27-2)16(23)9-17(13)28-20(12)14/h3-9,22-23H,1-2H3,(H,24,25) |
---|
InChI Key | DJFAUDCMYUMUNB-UHFFFAOYSA-N |
---|
Experimental Spectra |
---|
|
| Spectrum Type | Description | Depositor Email | Depositor Organization | Depositor | Deposition Date | View |
---|
1D NMR | 13C NMR Spectrum (1D, 500 MHz, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 500 MHz, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 100 MHz, NULL, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 100 MHz, NULL, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 200 MHz, NULL, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 200 MHz, NULL, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 300 MHz, NULL, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 300 MHz, NULL, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 400 MHz, NULL, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 400 MHz, NULL, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 600 MHz, NULL, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, NULL, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 700 MHz, NULL, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 700 MHz, NULL, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 800 MHz, NULL, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 800 MHz, NULL, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 900 MHz, NULL, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 900 MHz, NULL, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 1000 MHz, NULL, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 1000 MHz, NULL, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum |
| Predicted Spectra |
---|
|
| Not Available | Chemical Shift Submissions |
---|
|
| Not Available | Species |
---|
Species of Origin | |
---|
Chemical Taxonomy |
---|
Description | This compound belongs to the class of organic compounds known as phenylbenzofurans. These are organic aromatic compounds that contain a phenyl group attached to a benzofuran moiety. Benzofuran is a bicyclic compound containing a benzene fused to a furan. |
---|
Kingdom | Organic compounds |
---|
Super Class | Organoheterocyclic compounds |
---|
Class | Benzofurans |
---|
Sub Class | Phenylbenzofurans |
---|
Direct Parent | Phenylbenzofurans |
---|
Alternative Parents | |
---|
Substituents | - Phenylbenzofuran
- Dibenzofuran
- Methoxyphenol
- Anisole
- Phenoxy compound
- Phenol ether
- Methoxybenzene
- Phenol
- Alkyl aryl ether
- 1-hydroxy-2-unsubstituted benzenoid
- Monocyclic benzene moiety
- Benzenoid
- Heteroaromatic compound
- Furan
- Oxacycle
- Carboxylic acid derivative
- Carboxylic acid
- Ether
- Monocarboxylic acid or derivatives
- Organic oxygen compound
- Organic oxide
- Organooxygen compound
- Hydrocarbon derivative
- 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 | |
---|