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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 72304Generated: October 23, 2026

Isoflavone

BioaActive Soy Isoflavones · 4H-1-Benzopyran-4-one,3-phenyl- · (1S,2R,3S,4R)-1,2,3,4,8-pentahydroxy-6-methoxy-3-methyl-2,4-dihydro-1H-anthracene-9,10-dione · ISOFLAVONE · Isoflavone,40% · Isoflavone 60% · Soy Isoflavione · 3-Phenylchromone

https://huagongshe.com/en/chemical/72304

Isoflavone molecular structure

Identifiers & Physical Properties

CAS No.574-12-9
Molecular formulaC15H10O2
Average molar mass222.24 g/mol
Monoisotopic mass222.06807956 g/mol
SMILESO=c1c(-c2ccccc2)coc2ccccc12
InChIKeyGOMNOOKGLZYEJT-UHFFFAOYSA-N
PubChem CID72304
ChEMBLCHEMBL366460
ChEBICHEBI:18220
EC No.611-522-9
DTXSIDDTXSID90205986

Chemical & Physical Properties

XLogP3.2
Topological polar surface area26.3
Hydrogen bond donors0
Hydrogen bond acceptors2
Rotatable bonds1
Heavy atoms17
Formal charge0
Complexity326
DrugsPharmaceuticals -> Listed in ZINC15
LipidsPolyketides [PK] -> Flavonoids [PK12] -> Isoflavonoids [PK1205]
SpringerMaterials PropertiesDiamagnetic susceptibility
Melting point148°
Boiling point323.41°C (rough estimate)
Density1.1404 (rough estimate)
Refractive index1.6600 (estimate)
Storage conditions2-8°C
SolubilityChloroform (Slightly), Methanol (Slightly)
Physical stateSolid
ColorPale Yellow to Light Yellow
InChIInChI=1S/C15H10O2/c16-15-12-8-4-5-9-14(12)17-10-13(15)11-6-2-1-3-7-11/h1-10H
InChIKeyGOMNOOKGLZYEJT-UHFFFAOYSA-N
SMILESC1OC2=CC=CC=C2C(=O)C=1C1=CC=CC=C1
LogP (partition coefficient)3.013 (est)
CAS DataBase Reference574-12-9(CAS DataBase Reference)
NCI Dictionary of Cancer Termsisoflavone
FDA UNIIOVO2KUW8H8
GHS pictogramGHS07
Signal wordWarning
GHS hazard statementsH315-H319-H335
GHS precautionary statementsP261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P321-P362+P364-P332+P313-P337+P313-P403+P233-P405-P501

Safety & Regulations

GHS classificationThis chemical does not meet GHS hazard criteria for 100% (52 of 52) of all reports.Not ClassifiedAggregated GHS information provided per 52 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard Classes and CategoriesNot Classified
Signal wordWarning
GHS pictogramGHS07
GHS hazard statementsH315-H319-H335
GHS precautionary statementsP261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P321-P362+P364-P332+P313-P337+P313-P403+P233-P405-P501

Applications & Uses

Uses

Antioxygenation, estrogen-like, cancer prevention and anti-cancer, disease prevention such as senile dementia, cardiovascular diseases and breast cancer, improvement of life quality.

Uses

Isoflavones possess antioxidant properties and antipromotional effects.