Raspberryketone glucoside
PubChem CID
5320521
Structure
Molecular Formula
Synonyms
- Raspberry ketone glucoside
- 38963-94-9
- Raspberryketone glucoside
- Oristar RKG
- Raspberryketone glucoside TH
Molecular Weight
326.34 g/mol
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Dates
- Create:2006-01-18
- Modify:2025-01-18
Description
Raspberryketone glucoside has been reported in Rheum palmatum, Pinus sylvestris, and other organisms with data available.
Chemical Structure Depiction
4-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]butan-2-one
Computed by Lexichem TK 2.7.0 (PubChem release 2021.10.14)
InChI=1S/C16H22O7/c1-9(18)2-3-10-4-6-11(7-5-10)22-16-15(21)14(20)13(19)12(8-17)23-16/h4-7,12-17,19-21H,2-3,8H2,1H3/t12-,13-,14+,15-,16-/m1/s1
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
IDONYWHRKBUDOR-IBEHDNSVSA-N
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
CC(=O)CCC1=CC=C(C=C1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C16H22O7
Computed by PubChem 2.2 (PubChem release 2021.10.14)
- Raspberry ketone glucoside
- 38963-94-9
- Raspberryketone glucoside
- Oristar RKG
- Raspberryketone glucoside TH
- 2-Butanone, 4-[4-(b-D-glucopyranosyloxy)phenyl]-
- UNII-W3LCK69N6O
- W3LCK69N6O
- (4-Hydroxyphenyl)-2-butanone beta-d-glucoside
- Raspberry ketone beta-d-glucoside
- Raspberryketone glucoside [INCI]
- 4-(4-(((2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)phenyl)butan-2-one
- Raspberry ketone beta-d-glucopyranoside
- 4-(4'-Hydroxylphenyl)-2-butanone 4'-O-glucopyranoside
- 4-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]butan-2-one
- DTXSID80192255
- 4-(P-hydroxyphenyl)-2-butanone beta-D-glucoside
- 4-(4-Hydroxyphenyl)-2-butanone beta-D-glucoside
- 4-[4-(beta-d-glucopyranosyloxy)phenyl]-2-butanone
- 2-Butanone, 4-(4-(beta-d-glucopyranosyloxy)phenyl)-
- RASPBERRY KETONE GLUCOSIDE [MI]
- RASPBERRY KETONE .BETA.-D-GLUCOSIDE
- RASPBERRY KETONE .BETA.-D-GLUCOPYRANOSIDE
- (4-HYDROXYPHENYL)-2-BUTANONE .BETA.-D-GLUCOSIDE
- 4-(4-HYDROXYPHENYL)-2-BUTANONE .BETA.-D-GLUCOSIDE
- 4-(P-HYDROXYPHENYL)-2-BUTANONE .BETA.-D-GLUCOSIDE
- 2-BUTANONE, 4-(4-(.BETA.-D-GLUCOPYRANOSYLOXY)PHENYL)-
- 4-(4-(I2-D-Glucopyranosyloxy)phenyl)-2-butanone
- 4-[4-(I2-D-Glucopyranosyloxy)phenyl]-2-butanone
- 4-(4-(beta-D-Glucopyranosyloxy)phenyl)-2-butanone
- 4-(4-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxyphenyl)butan-2-one
- MFCD09838679
- MEGxp0_000222
- SCHEMBL8976171
- CHEMBL4211137
- Raspberry ketone I2-D-glucoside
- DTXCID90114746
- IDONYWHRKBUDOR-IBEHDNSVSA-N
- HY-N6069
- Rheosmin-4-O-beta-D-glucopyranoside
- s3222
- Raspberry ketone I2-D-glucopyranoside
- AKOS022174882
- 1ST40380
- AS-15354
- DA-77355
- CS-0032306
- (4-Hydroxyphenyl)-2-butanone I2-D-glucoside
- G13597
- Q21547195
- 4-(4-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yloxy)phenyl)butan-2-one
- 4-(4-{[(2S,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY}PHENYL)BUTAN-2-ONE
- Raspberryketone glucosideOristar RKG; Raspberryketone glucoside TH; Raspberryketone glucoside [INCI]
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
326.34 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
XLogP3
Property Value
0
Reference
Computed by XLogP3 3.0 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Donor Count
Property Value
4
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Acceptor Count
Property Value
7
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Rotatable Bond Count
Property Value
6
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Exact Mass
Property Value
326.13655304 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Monoisotopic Mass
Property Value
326.13655304 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Topological Polar Surface Area
Property Value
116 Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Heavy Atom Count
Property Value
23
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
381
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Isotope Atom Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Atom Stereocenter Count
Property Value
5
Reference
Computed by PubChem
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Covalently-Bonded Unit Count
Property Value
1
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2021.10.14)
Follow these links to do a live 2D search or do a live 3D search for this compound, sorted by annotation score. This section is deprecated (see here for details), but these live search links provide equivalent functionality to the table that was previously shown here.
Same Connectivity Count
Same Parent, Connectivity Count
Similar Compounds (2D)
Similar Conformers (3D)
Same Count
PubMed Count
Active ingredient and drug
EPA CPDat Chemical and Product Categories
The Chemical and Products Database, a resource for exposure-relevant data on chemicals in consumer products, Scientific Data, volume 5, Article number: 180125 (2018), DOI:10.1038/sdata.2018.125
Patents are available for this chemical structure:
https://patentscope.wipo.int/search/en/result.jsf?inchikey=IDONYWHRKBUDOR-IBEHDNSVSA-N
The LOTUS Initiative for Open Natural Products Research: frozen dataset union wikidata (with metadata) | DOI:10.5281/zenodo.5794106
- CAS Common ChemistryLICENSEThe data from CAS Common Chemistry is provided under a CC-BY-NC 4.0 license, unless otherwise stated.https://creativecommons.org/licenses/by-nc/4.0/Raspberry ketone β-D-glucosidehttps://commonchemistry.cas.org/detail?cas_rn=38963-94-9
- ChemIDplusRaspberryketone glucosidehttps://pubchem.ncbi.nlm.nih.gov/substance/?source=chemidplus&sourceid=0038963949ChemIDplus Chemical Information Classificationhttps://pubchem.ncbi.nlm.nih.gov/source/ChemIDplus
- EPA DSSToxRaspberryketone glucosidehttps://comptox.epa.gov/dashboard/DTXSID80192255CompTox Chemicals Dashboard Chemical Listshttps://comptox.epa.gov/dashboard/chemical-lists/
- FDA Global Substance Registration System (GSRS)LICENSEUnless otherwise noted, the contents of the FDA website (www.fda.gov), both text and graphics, are not copyrighted. They are in the public domain and may be republished, reprinted and otherwise used freely by anyone without the need to obtain permission from FDA. Credit to the U.S. Food and Drug Administration as the source is appreciated but not required.https://www.fda.gov/about-fda/about-website/website-policies#linkingRASPBERRYKETONE GLUCOSIDEhttps://gsrs.ncats.nih.gov/ginas/app/beta/substances/W3LCK69N6O
- ChEMBLLICENSEAccess to the web interface of ChEMBL is made under the EBI's Terms of Use (http://www.ebi.ac.uk/Information/termsofuse.html). The ChEMBL data is made available on a Creative Commons Attribution-Share Alike 3.0 Unported License (http://creativecommons.org/licenses/by-sa/3.0/).http://www.ebi.ac.uk/Information/termsofuse.htmlChEMBL Protein Target Treehttps://www.ebi.ac.uk/chembl/g/#browse/targets
- DailyMedRASPBERRYKETONE GLUCOSIDEhttps://dailymed.nlm.nih.gov/dailymed/search.cfm?labeltype=all&query=RASPBERRYKETONE+GLUCOSIDE
- EPA Chemical and Products Database (CPDat)Raspberryketone glucosidehttps://comptox.epa.gov/dashboard/DTXSID80192255#exposureEPA CPDat Classificationhttps://www.epa.gov/chemical-research/chemical-and-products-database-cpdat
- Japan Chemical Substance Dictionary (Nikkaji)
- LOTUS - the natural products occurrence databaseLICENSEThe code for LOTUS is released under the GNU General Public License v3.0.https://lotus.nprod.net/Raspberryketone glucosidehttps://www.wikidata.org/wiki/Q21547195LOTUS Treehttps://lotus.naturalproducts.net/
- Natural Product Activity and Species Source (NPASS)
- National Drug Code (NDC) DirectoryLICENSEUnless otherwise noted, the contents of the FDA website (www.fda.gov), both text and graphics, are not copyrighted. They are in the public domain and may be republished, reprinted and otherwise used freely by anyone without the need to obtain permission from FDA. Credit to the U.S. Food and Drug Administration as the source is appreciated but not required.https://www.fda.gov/about-fda/about-website/website-policies#linkingRASPBERRYKETONE GLUCOSIDEhttps://www.fda.gov/drugs/drug-approvals-and-databases/national-drug-code-directory
- Nature Chemistry
- SpectraBase4-(4'-HYDROXYPHENYL)-2-BUTANONE-4'-O-BETA-D-GLUCOPYRANOSIDEhttps://spectrabase.com/spectrum/F02rQLOP9K4
- Wikidataraspberryketone glucosidehttps://www.wikidata.org/wiki/Q21547195
- PubChem
- MolGenieMolGenie Organic Chemistry Ontologyhttps://github.com/MolGenie/ontology/
- PATENTSCOPE (WIPO)SID 396277045https://pubchem.ncbi.nlm.nih.gov/substance/396277045
CONTENTS