Record Information |
---|
Version | 2.0 |
---|
Created at | 2022-09-09 10:27:21 UTC |
---|
Updated at | 2022-09-09 10:27:21 UTC |
---|
NP-MRD ID | NP0283262 |
---|
Secondary Accession Numbers | None |
---|
Natural Product Identification |
---|
Common Name | 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-6-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl)oxy]chromen-4-one |
---|
Description | 2-(3,4-Dihydroxyphenyl)-5-hydroxy-7-methoxy-6-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl)oxy]-4H-chromen-4-one belongs to the class of organic compounds known as flavonoid o-glycosides. Flavonoid O-glycosides are compounds containing a carbohydrate moiety which is O-glycosidically linked to the 2-phenylchromen-4-one flavonoid backbone. 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-6-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl)oxy]chromen-4-one is found in Pterogyne nitens. 2-(3,4-Dihydroxyphenyl)-5-hydroxy-7-methoxy-6-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl)oxy]-4H-chromen-4-one is an extremely weak basic (essentially neutral) compound (based on its pKa). |
---|
Structure | COC1=CC2=C(C(=O)C=C(O2)C2=CC=C(O)C(O)=C2)C(O)=C1OC1OC(COC2OC(C)C(O)C(O)C2O)C(O)C(O)C1O InChI=1S/C28H32O16/c1-9-19(32)22(35)24(37)27(41-9)40-8-17-20(33)23(36)25(38)28(43-17)44-26-16(39-2)7-15-18(21(26)34)13(31)6-14(42-15)10-3-4-11(29)12(30)5-10/h3-7,9,17,19-20,22-25,27-30,32-38H,8H2,1-2H3 |
---|
Synonyms | Not Available |
---|
Chemical Formula | C28H32O16 |
---|
Average Mass | 624.5480 Da |
---|
Monoisotopic Mass | 624.16903 Da |
---|
IUPAC Name | 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-6-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl)oxy]-4H-chromen-4-one |
---|
Traditional Name | 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-6-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl)oxy]chromen-4-one |
---|
CAS Registry Number | Not Available |
---|
SMILES | COC1=CC2=C(C(=O)C=C(O2)C2=CC=C(O)C(O)=C2)C(O)=C1OC1OC(COC2OC(C)C(O)C(O)C2O)C(O)C(O)C1O |
---|
InChI Identifier | InChI=1S/C28H32O16/c1-9-19(32)22(35)24(37)27(41-9)40-8-17-20(33)23(36)25(38)28(43-17)44-26-16(39-2)7-15-18(21(26)34)13(31)6-14(42-15)10-3-4-11(29)12(30)5-10/h3-7,9,17,19-20,22-25,27-30,32-38H,8H2,1-2H3 |
---|
InChI Key | MTUPEWBIUKFRBD-UHFFFAOYSA-N |
---|
Experimental Spectra |
---|
|
| Not Available | Predicted Spectra |
---|
|
| Not Available | Chemical Shift Submissions |
---|
|
| Not Available | Species |
---|
Species of Origin | |
---|
Chemical Taxonomy |
---|
Description | Belongs to the class of organic compounds known as flavonoid o-glycosides. Flavonoid O-glycosides are compounds containing a carbohydrate moiety which is O-glycosidically linked to the 2-phenylchromen-4-one flavonoid backbone. |
---|
Kingdom | Organic compounds |
---|
Super Class | Phenylpropanoids and polyketides |
---|
Class | Flavonoids |
---|
Sub Class | Flavonoid glycosides |
---|
Direct Parent | Flavonoid O-glycosides |
---|
Alternative Parents | |
---|
Substituents | - Flavonoid-6-o-glycoside
- Flavonoid o-glycoside
- 7-methoxyflavonoid-skeleton
- 3'-hydroxyflavonoid
- 4'-hydroxyflavonoid
- 5-hydroxyflavonoid
- Flavone
- Hydroxyflavonoid
- Phenolic glycoside
- Chromone
- Disaccharide
- Glycosyl compound
- O-glycosyl compound
- Benzopyran
- 1-benzopyran
- Anisole
- Catechol
- Pyranone
- Phenol
- Alkyl aryl ether
- 1-hydroxy-4-unsubstituted benzenoid
- 1-hydroxy-2-unsubstituted benzenoid
- Pyran
- Oxane
- Monocyclic benzene moiety
- Benzenoid
- Heteroaromatic compound
- Vinylogous acid
- Secondary alcohol
- Polyol
- Acetal
- Ether
- Oxacycle
- Organoheterocyclic compound
- Hydrocarbon derivative
- Organic oxide
- Organic oxygen compound
- Organooxygen compound
- 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 | |
---|