Galangin (CED0004373)

Record Information

Version

1.0

Creation Date

2016-05-25 20:55:37 UTC

Update Date

2026-04-03 05:06:49 UTC

Accession Number

CHEM023247

Identification

Common Name

Galangin

Class

Small Molecule

Description

Galangin is an organic compound with the formula C15H10O5 and an average molecular weight of 270.24 g/mol. Galangin belongs to the flavones, a subclass of flavonoids within the organic compounds. It is further classified within the superclass of phenylpropanoids and polyketides. In biological contexts, the compound serves as an antioxidant (PMC6837547), while it is used industrially as a humectant (PMC6837547). Galangin has been identified in 15 recorded sources across multiple sectors. These include electrical and electronic equipment, specifically batteries, capacitors, cell phones, printed circuit boards, and wires and cables. It is also found in food, food processing and cookware, including food packaging and the preparation of vinegar. Within the sector of textiles, leather and furnishings, it is present in carpets, rugs, and synthetic textiles. Additionally, it is recorded in indoor air via air, dust and atmospheric transport, in lubricants within the energy, oil and gas sector, and in medical devices used in healthcare, pharmaceuticals and veterinary products, among two other sectors. Recorded routes of exposure for this compound include touch, oral, and inhalation.

Contaminant Type

PFAS
Phytotoxin

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
3,5,7-Trihydroxy-2-phenyl-4H-benzopyran-4-one	ChEBI
3,5,7-Trihydroxyflavone	ChEBI
3,5,7-TriOH-flavone	ChEBI
Teptochrysin	ChEBI
3,5,7-Trihydroxy-2-phenyl-4-benzopyrone	HMDB
3,5,7-Trihydroxy-2-phenyl-4H-1-benzopyran-4-one	HMDB
3,5,7-Trihydroxy-2-phenyl-4H-1-benzopyran-4-one, 9ci	HMDB
3,5,7-Trihydroxy-2-phenyl-4H-chromen-4-one	HMDB
3,5,7-Trihydroxy-flavone	HMDB
4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2-phenyl- (9ci)	HMDB
5,7-Dihydroxyflavonol	HMDB
Galangin	HMDB
Norizalpinin	ChEBI

Chemical Formula

C₁₅H₁₀O₅

Average Molecular Mass

270.237 g/mol

Monoisotopic Mass

270.053 g/mol

CAS Registry Number

548-83-4

IUPAC Name

3,5,7-trihydroxy-2-phenyl-4H-chromen-4-one

Traditional Name

galangin

SMILES

OC1=CC(O)=C2C(OC(=C(O)C2=O)C2=CC=CC=C2)=C1

InChI Identifier

InChI=1S/C15H10O5/c16-9-6-10(17)12-11(7-9)20-15(14(19)13(12)18)8-4-2-1-3-5-8/h1-7,16-17,19H

InChI Key

VCCRNZQBSJXYJD-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as flavonols. Flavonols are compounds that contain a flavone (2-phenyl-1-benzopyran-4-one) backbone carrying a hydroxyl group at the 3-position.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Flavonoids

Sub Class

Flavones

Direct Parent

Flavonols

Alternative Parents

Substituents

3-hydroxyflavone
3-hydroxyflavonoid
5-hydroxyflavonoid
7-hydroxyflavonoid
Hydroxyflavonoid
Chromone
Benzopyran
1-benzopyran
1-hydroxy-4-unsubstituted benzenoid
1-hydroxy-2-unsubstituted benzenoid
Pyranone
Monocyclic benzene moiety
Benzenoid
Pyran
Vinylogous acid
Heteroaromatic compound
Organoheterocyclic compound
Oxacycle
Polyol
Organooxygen compound
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

trihydroxyflavone (CHEBI:5262 )
7-hydroxyflavonol (CHEBI:5262 )
Flavones and Flavonols (C10044 )
Flavones and Flavonols (LMPK12111653 )

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Applications

Not Available

Biological Roles

antioxidant

Chemical Roles

Not Available

Organoleptic Effects

Not Available

Physical Properties

State

Not Available

Appearance

Not Available

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Property	Value	Source
Water Solubility	0.12 g/L	ALOGPS
logP	2.39	ALOGPS
logP	2.76	ChemAxon
logS	-3.4	ALOGPS
pKa (Strongest Acidic)	6.38	ChemAxon
pKa (Strongest Basic)	-3.9	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	5	ChemAxon
Hydrogen Donor Count	3	ChemAxon
Polar Surface Area	86.99 Å²	ChemAxon
Rotatable Bond Count	1	ChemAxon
Refractivity	72.9 m³·mol⁻¹	ChemAxon
Polarizability	26.54 Å³	ChemAxon
Number of Rings	3	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View
Predicted GC-MS	Predicted GC-MS Spectrum	splash10-000i-0950000000-f80dc86cabb2b5ee7f80	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	splash10-00di-3433900000-6efc1a666076cec9c866	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-004i-0917700000-5933de30c7285a663ccc	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-004i-0917700000-5933de30c7285a663ccc	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-014i-0980000000-5ead402f53f21ad1bc69	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-014i-0980000000-5ead402f53f21ad1bc69	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-014i-0980000000-5ead402f53f21ad1bc69	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-014i-0090000000-ccad6be83481aed77fa3	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-014i-0090000000-a7d187f28c6a27ca6b7c	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-014i-0980000000-5ead402f53f21ad1bc69	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-014i-0090000000-573c015550a1005e3b91	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-014i-0090000000-041e54bbbd21adb90d8e	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-014i-0970000000-f56d16bf9ffd129227e2	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0uk9-0940000000-fcc781cee9aa39b4d2c3	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-00ov-0941000000-088245d4060300c28913	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-01b9-0090000000-3dca6de83080ab540738	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-01b9-0090000000-c7a6c4b522f7d1ab344a	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-00mk-0690000000-9d8f0b599742e5233f85	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-014i-0090000000-a7d187f28c6a27ca6b7c	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-014i-0980000000-5ead402f53f21ad1bc69	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-014i-0090000000-573c015550a1005e3b91	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-014i-0090000000-041e54bbbd21adb90d8e	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-01b9-0890000000-5debd5d2ff025ba5931f	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-001i-0390000000-83a37e0c64768aaefe97	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-03di-0090000000-b27a5ca6ccb0b7639df3	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-00di-0960000000-5a83d19652d9fddc19ed	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-00di-0590000000-3043a253d1c99a3ed366	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-014i-0890000000-495fefc64e4feb3b0bcf	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-014i-0950000000-c90861ba0230f161064f	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-014i-0090000000-573c015550a1005e3b91	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-014i-0090000000-b8b23ccc30c5a5394a50	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0udi-5920000000-36816a09e5d956566027	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-00di-0190000000-4d171aa1438ea5aff453	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-014i-0090000000-9542aa77ed8c84bed45f	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-00di-1290000000-a6490a6456cd8a26b25f	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-014i-0980000000-5ead402f53f21ad1bc69	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-014i-0090000000-a7d187f28c6a27ca6b7c	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-06vm-3920000000-f209956106e4cb29ea6b	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-014i-0090000000-b23dcd26eed2396eb504	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-00di-0090000000-a5f26af5c8b5cd0dba26	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-00di-0090000000-760166b17d3214284672	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0udi-6950000000-b847b228161afff1e72a	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-014i-0090000000-54bac69149adc7b5ba6e	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-014i-0190000000-d5a27d2008cc13814301	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-014i-3930000000-91f995a09835f8ce6953	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-00di-0090000000-60b322ff74af8a765580	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-00di-0090000000-6435a409a7cb6e9a2271	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0v4i-2920000000-2def499ec356fd0e6430	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-014i-0090000000-e219ea4e388fec76d32b	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-014i-0590000000-d9e01af2b09aed669336	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0gdr-3910000000-c7a84a2d240b6d135988	Not Available	View Spectrum

Toxicity Profile

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Toxicity Values

Toxicity Value	Unit	Value Range	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Reference
2273.0	Log mg/kg	[1300:4000]	Rat	LD50	oral	predicted	Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
7	Pesticides	Agriculture & land management	Not Available
19	Indoor air	Air, dust & atmospheric transport	Not Available
120	Wires and cables	Electrical & Electronic Equipment	Not Available
121	Printed circuit boards	Electrical & Electronic Equipment	Not Available
125	Batteries	Electrical & Electronic Equipment	Not Available
130	Semiconductors	Electrical & Electronic Equipment	Not Available
138	Lubricants	Energy, oil & gas	Not Available
147	Food packaging	Food, food processing & cookware	Not Available
174	Lubricants	Industrial manufacturing & chemical processing	Not Available
234	Medical devices	Healthcare, pharmaceuticals & veterinary products	Not Available
451	Carpets and Rugs	Textiles, leather & furnishings	Not Available
454	Synthetic textiles	Textiles, leather & furnishings	Not Available
490		Personal care & cosmetics	Not Available
492	Cell phones	Electrical & Electronic Equipment	Not Available
493	Capacitors	Electrical & Electronic Equipment	Not Available
548	Preparation Of Vinegar	Food, food processing & cookware	Not Available
597	Chemosterilants	Agriculture & land management	Not Available
607	Rodenticides(1)	Agriculture & land management	Not Available
608	Rodenticides	Agriculture & land management	Not Available

Pathways

0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	ATP-dependent translocase ABCB1	P08183	Humans	Predicted (SEA)	0.233548
Click to view 3D structure	Cytochrome P450 1B1	Q16678	Humans	Predicted (SEA)	0.0778492
Click to view 3D structure	Cytochrome P450 1A1	P04798	Humans	Predicted (SEA)	0.0778492
Click to view 3D structure	Xanthine dehydrogenase/oxidase	P47989	Humans	Predicted (SEA)	0.155698
Click to view 3D structure	Receptor-type tyrosine-protein kinase FLT3	P36888	Humans	Predicted (SEA)	0.389246
Click to view 3D structure	Cytochrome P450 1A2	P05177	Humans	Predicted (SEA)	0.0778492
Click to view 3D structure	Carbonic anhydrase 2	P00918	Humans	Predicted (SEA)	0.155698
Click to view 3D structure	Carbonic anhydrase 7	P43166	Humans	Predicted (SEA)	0.0778492
Click to view 3D structure	Carbonic anhydrase 12	O43570	Humans	Predicted (SEA)	0.0778492
Click to view 3D structure	Carbonic anhydrase 1	P00915	Humans	Predicted (SEA)	0.155698
Click to view 3D structure	Carbonic anhydrase 4	P22748	Humans	Predicted (SEA)	0.0778492
Click to view 3D structure	Short transient receptor potential channel 5	Q9UL62	Humans	Predicted (SEA)	0.155698
Click to view 3D structure	Tyrosine-protein kinase transforming protein Fps	P00530	Fujinami sarcoma virus	Predicted (SEA)	0.155698
Click to view 3D structure	Amine oxidase [flavin-containing] A	P21397	Humans	Predicted (SEA)	0.233548
Click to view 3D structure	D-alanine--D-alanine ligase	Q1CTD3	Helicobacter pylori (strain HPAG1)	Predicted (SEA)	0.155698
Click to view 3D structure	Aldo-keto reductase family 1 member C21	Q91WR5	Mus musculus	Predicted (SEA)	0.155698
Click to view 3D structure	Protein E6	P03126	Human papillomavirus type 16	Predicted (SEA)	0.0778492
Click to view 3D structure	ATP-dependent translocase ABCB1	P21447	Mus musculus	Predicted (SEA)	0.0778492
Click to view 3D structure	Protein deacetylase HDAC6	Q9UBN7	Humans	Predicted (SEA)	0.622794
Click to view 3D structure	3-oxoacyl-acyl-carrier protein reductase	Q965D6	Plasmodium falciparum	Predicted (SEA)	0.233548
Click to view 3D structure	Inositol hexakisphosphate kinase 2	Q9UHH9	Humans	Predicted (SEA)	0.155698
Click to view 3D structure	Aldo-keto reductase family 1 member B1	P15121	Humans	Predicted (SEA)	0.544945
Click to view 3D structure	Acetylcholinesterase	P22303	Humans	Predicted (SEA)	4.12601
Click to view 3D structure	Inositol polyphosphate multikinase	Q8NFU5	Humans	Predicted (SEA)	0.155698
Click to view 3D structure	Enoyl-acyl-carrier protein reductase	Q965D5	Plasmodium falciparum	Predicted (SEA)	0.233548