Licochalcone A
Properties
- Molecular formula
- C21H22O4
- Molar mass
- 338.40 g/mol
- Exact mass
- 338.1518 Da
- Melting point
- 99–100 °C
- logP
- 4.47Crippen estimate
- Polar surface area
- 66.8 Ų
- H-bond donors / acceptors
- 2 / 4
- Rotatable bonds
- 6
- Double bonds
- EE/Z, in SMILES order
Hazards
Warning
- H302+H312+H332 Harmful if swallowed, in contact with skin or if inhaled41.4% of notifiers
- H302 Harmful if swallowed98.6% of notifiers
- H312 Harmful in contact with skin98.6% of notifiers
- H332 Harmful if inhaled98.6% of notifiers
Aggregated from 70 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, P501
Identifiers
CAS number
58749-22-7SMILES
C=CC(C)(C)c1cc(/C=C/C(=O)c2ccc(O)cc2)c(OC)cc1OInChIKey
KAZSKMJFUPEHHW-DHZHZOJOSA-NInChI
InChI=1S/C21H22O4/c1-5-21(2,3)17-12-15(20(25-4)13-19(17)24)8-11-18(23)14-6-9-16(22)10-7-14/h5-13,22,24H,1H2,2-4H3/b11-8+Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
4 names
- 2-Propen-1-one, 3-[5-(1,1-dimethyl-2-propen-1-yl)-4-hydroxy-2-methoxyphenyl]-1-(4-hydroxyphenyl)-, (2E)-
- 2-Propen-1-one, 3-[5-(1,1-dimethyl-2-propenyl)-4-hydroxy-2-methoxyphenyl]-1-(4-hydroxyphenyl)-, (E)-
- 2-Propen-1-one, 3-[5-(1,1-dimethyl-2-propenyl)-4-hydroxy-2-methoxyphenyl]-1-(4-hydroxyphenyl)-, (2E)-
- (2E)-3-[5-(1,1-Dimethyl-2-propen-1-yl)-4-hydroxy-2-methoxyphenyl]-1-(4-hydroxyphenyl)-2-propen-1-one
Work with Licochalcone A
Similar compounds
Echinatin34221-41-563 % similar
Licochalcone B58749-23-852 % similar
Cardamomin19309-14-942 % similar
Xanthohumol6754-58-140 % similar
Desmethoxycurcumin22608-11-339 % similar
4′-Hydroxychalcone2657-25-239 % similar
2′-Hydroxy-4,4′,6′-trimethoxychalcone3420-72-238 % similar
Licochalcone D144506-15-038 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds