Isobavachin
Properties
- Molecular formula
- C20H20O4
- Molar mass
- 324.38 g/mol
- Exact mass
- 324.1362 Da
- Melting point
- 187–188 °C
- logP
- 4.31Crippen estimate
- Polar surface area
- 66.8 Ų
- H-bond donors / acceptors
- 2 / 4
- Rotatable bonds
- 3
- Stereocentres
- Sin SMILES atom order
Hazards
No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library
Identifiers
CAS number
31524-62-6SMILES
CC(C)=CCc1c(O)ccc2c1O[C@H](c1ccc(O)cc1)CC2=OInChIKey
KYFBXCHUXFKMGQ-IBGZPJMESA-NInChI
InChI=1S/C20H20O4/c1-12(2)3-8-15-17(22)10-9-16-18(23)11-19(24-20(15)16)13-4-6-14(21)7-5-13/h3-7,9-10,19,21-22H,8,11H2,1-2H3/t19-/m0/s1Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
6 names
- 4H-1-Benzopyran-4-one, 2,3-dihydro-7-hydroxy-2-(4-hydroxyphenyl)-8-(3-methyl-2-buten-1-yl)-, (2S)-
- 4H-1-Benzopyran-4-one, 2,3-dihydro-7-hydroxy-2-(4-hydroxyphenyl)-8-(3-methyl-2-butenyl)-, (S)-
- Flavanone, 4′,7-dihydro-8-(3-methyl-2-butenyl)-
- 4H-1-Benzopyran-4-one, 2,3-dihydro-7-hydroxy-2-(4-hydroxyphenyl)-8-(3-methyl-2-butenyl)-, (2S)-
- (2S)-2,3-Dihydro-7-hydroxy-2-(4-hydroxyphenyl)-8-(3-methyl-2-buten-1-yl)-4H-1-benzopyran-4-one
- (2S)-7-Hydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
Work with Isobavachin
Similar compounds
8-Prenylnaringenin53846-50-773 % similar
Isoxanthohumol70872-29-667 % similar
Bavachinin19879-30-256 % similar
Liquiritigenin578-86-952 % similar
(S)-2-(3,4-Dihydroxyphenyl)-2,3-dihydro-7,8-dihydroxy-4H-1-benzopyran-4-one1036-49-351 % similar
5,7,4'-Trihydroxy-8-methylflavanone916917-28-751 % similar
Licochalcone C144506-14-951 % similar
4′-Hydroxyflavanone6515-37-349 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds