Record Information |
---|
Version | 5.0 |
---|
Status | Expected but not Quantified |
---|
Creation Date | 2021-09-24 11:13:20 UTC |
---|
Update Date | 2021-09-24 11:13:20 UTC |
---|
HMDB ID | HMDB0304626 |
---|
Secondary Accession Numbers | None |
---|
Metabolite Identification |
---|
Common Name | Cowagarcinone B |
---|
Description | 1,6-dihydroxy-3,7-dimethoxy-2-(3-methylbut-2-en-1-yl)-9H-xanthen-9-one belongs to the class of organic compounds known as 2-prenylated xanthones. These are organic compounds containing a C5-isoprenoid group linked to a xanthone moiety at the 2-position. Xanthone is a tricyclic compound made up of two benzene rings linearly fused to each other through a pyran ring that carries a ketone group. Based on a literature review very few articles have been published on 1,6-dihydroxy-3,7-dimethoxy-2-(3-methylbut-2-en-1-yl)-9H-xanthen-9-one. |
---|
Structure | COC1=C(O)C=C2OC3=CC(OC)=C(CC=C(C)C)C(O)=C3C(=O)C2=C1 InChI=1S/C20H20O6/c1-10(2)5-6-11-14(24-3)9-17-18(19(11)22)20(23)12-7-16(25-4)13(21)8-15(12)26-17/h5,7-9,21-22H,6H2,1-4H3 |
---|
Synonyms | Value | Source |
---|
1,6-Dihydroxy-3,7-dimethoxy-2-(3-methyl-2-buten-1-yl)-9H-xanthen-9-one | PhytoBank | 1,6-Dihydroxy-3,7-dimethoxy-2-(3-methyl-2-butenyl)xanthone | PhytoBank |
|
---|
Chemical Formula | C20H20O6 |
---|
Average Molecular Weight | 356.374 |
---|
Monoisotopic Molecular Weight | 356.125988364 |
---|
IUPAC Name | 1,6-dihydroxy-3,7-dimethoxy-2-(3-methylbut-2-en-1-yl)-9H-xanthen-9-one |
---|
Traditional Name | 1,6-dihydroxy-3,7-dimethoxy-2-(3-methylbut-2-en-1-yl)xanthen-9-one |
---|
CAS Registry Number | Not Available |
---|
SMILES | COC1=C(O)C=C2OC3=CC(OC)=C(CC=C(C)C)C(O)=C3C(=O)C2=C1 |
---|
InChI Identifier | InChI=1S/C20H20O6/c1-10(2)5-6-11-14(24-3)9-17-18(19(11)22)20(23)12-7-16(25-4)13(21)8-15(12)26-17/h5,7-9,21-22H,6H2,1-4H3 |
---|
InChI Key | VEQACXWBQPLDPZ-UHFFFAOYSA-N |
---|
Chemical Taxonomy |
---|
Description | Belongs to the class of organic compounds known as 2-prenylated xanthones. These are organic compounds containing a C5-isoprenoid group linked to a xanthone moiety at the 2-position. Xanthone is a tricyclic compound made up of two benzene rings linearly fused to each other through a pyran ring that carries a ketone group. |
---|
Kingdom | Organic compounds |
---|
Super Class | Organoheterocyclic compounds |
---|
Class | Benzopyrans |
---|
Sub Class | 1-benzopyrans |
---|
Direct Parent | 2-prenylated xanthones |
---|
Alternative Parents | |
---|
Substituents | - 2-prenylated xanthone
- Chromone
- Anisole
- 1-hydroxy-4-unsubstituted benzenoid
- 1-hydroxy-2-unsubstituted benzenoid
- Alkyl aryl ether
- Pyranone
- Benzenoid
- Pyran
- Heteroaromatic compound
- Vinylogous acid
- Ether
- Oxacycle
- Organic oxygen compound
- Hydrocarbon derivative
- Organooxygen compound
- Organic oxide
- Aromatic heteropolycyclic compound
|
---|
Molecular Framework | Aromatic heteropolycyclic compounds |
---|
External Descriptors | Not Available |
---|
Ontology |
---|
Physiological effect | Not Available |
---|
Disposition | |
---|
Process | Not Available |
---|
Role | Not Available |
---|
Physical Properties |
---|
State | Not Available |
---|
Experimental Molecular 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 |
|
---|
Experimental Chromatographic Properties | Not Available |
---|
Predicted Molecular Properties | | Show more...
---|
Predicted Chromatographic Properties | Predicted Collision Cross SectionsPredicted Kovats Retention IndicesNot Available | Show more...
---|