Record Information |
---|
Version | 1.0 |
---|
Created at | 2022-04-28 20:39:21 UTC |
---|
Updated at | 2022-04-28 20:39:21 UTC |
---|
NP-MRD ID | NP0075376 |
---|
Secondary Accession Numbers | None |
---|
Natural Product Identification |
---|
Common Name | (+)-Gnetuhainin H |
---|
Description | Gnetuhainin H belongs to the class of organic compounds known as 2-arylbenzofuran flavonoids. These are phenylpropanoids containing the 2-phenylbenzofuran moiety. (+)-Gnetuhainin H is found in Gnetum hainanense and Gnetum hainanense C.Y.Cheng.. Based on a literature review very few articles have been published on Gnetuhainin H. |
---|
Structure | COC1=C(O)C=CC(=C1)[C@H]1OC2=C(C=C3C=C(OC3=C2OC)C2=CC(O)=CC(O)=C2)[C@@H]1C1=CC(O)=CC(O)=C1 InChI=1S/C30H24O9/c1-36-25-10-14(3-4-23(25)35)27-26(16-7-20(33)13-21(34)8-16)22-9-17-11-24(15-5-18(31)12-19(32)6-15)38-28(17)30(37-2)29(22)39-27/h3-13,26-27,31-35H,1-2H3/t26-,27+/m0/s1 |
---|
Synonyms | Not Available |
---|
Chemical Formula | C30H24O9 |
---|
Average Mass | 528.5130 Da |
---|
Monoisotopic Mass | 528.14203 Da |
---|
IUPAC Name | 5-[(5S,6S)-11-(3,5-dihydroxyphenyl)-5-(4-hydroxy-3-methoxyphenyl)-2-methoxy-4,12-dioxatricyclo[7.3.0.0^{3,7}]dodeca-1,3(7),8,10-tetraen-6-yl]benzene-1,3-diol |
---|
Traditional Name | 5-[(5S,6S)-11-(3,5-dihydroxyphenyl)-5-(4-hydroxy-3-methoxyphenyl)-2-methoxy-4,12-dioxatricyclo[7.3.0.0^{3,7}]dodeca-1,3(7),8,10-tetraen-6-yl]benzene-1,3-diol |
---|
CAS Registry Number | Not Available |
---|
SMILES | COC1=C(O)C=CC(=C1)[C@H]1OC2=C(C=C3C=C(OC3=C2OC)C2=CC(O)=CC(O)=C2)[C@@H]1C1=CC(O)=CC(O)=C1 |
---|
InChI Identifier | InChI=1S/C30H24O9/c1-36-25-10-14(3-4-23(25)35)27-26(16-7-20(33)13-21(34)8-16)22-9-17-11-24(15-5-18(31)12-19(32)6-15)38-28(17)30(37-2)29(22)39-27/h3-13,26-27,31-35H,1-2H3/t26-,27+/m0/s1 |
---|
InChI Key | YUGFYCIMJURNCC-RRPNLBNLSA-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 2-arylbenzofuran flavonoids. These are phenylpropanoids containing the 2-phenylbenzofuran moiety. |
---|
Kingdom | Organic compounds |
---|
Super Class | Phenylpropanoids and polyketides |
---|
Class | 2-arylbenzofuran flavonoids |
---|
Sub Class | Not Available |
---|
Direct Parent | 2-arylbenzofuran flavonoids |
---|
Alternative Parents | |
---|
Substituents | - 2-arylbenzofuran flavonoid
- Linear 1,7-diphenylheptane skeleton
- Phenylbenzofuran
- 2-phenylbenzofuran
- 1-phenylcoumaran
- Stilbene
- Methoxyphenol
- Coumaran
- Benzofuran
- Phenoxy compound
- Phenol ether
- Resorcinol
- Anisole
- Methoxybenzene
- 1-hydroxy-4-unsubstituted benzenoid
- Alkyl aryl ether
- Phenol
- 1-hydroxy-2-unsubstituted benzenoid
- Benzenoid
- Monocyclic benzene moiety
- Heteroaromatic compound
- Furan
- Ether
- Organoheterocyclic compound
- Oxacycle
- Organic oxygen compound
- Hydrocarbon derivative
- Organooxygen 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 | |
---|