Bavachin
Properties
- Molecular formula
- C20H20O4
- Molar mass
- 324.38 g/mol
- Exact mass
- 324.1362 Da
- 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
Warning
- H302+H312+H332 Harmful if swallowed, in contact with skin or if inhaled50% of notifiers
- H302 Harmful if swallowed100% of notifiers
- H312 Harmful in contact with skin100% of notifiers
- H332 Harmful if inhaled100% of notifiers
Aggregated from 2 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
19879-32-4SMILES
CC(C)=CCc1cc2c(cc1O)O[C@H](c1ccc(O)cc1)CC2=OInChIKey
OAUREGNZECGNQS-IBGZPJMESA-NInChI
InChI=1S/C20H20O4/c1-12(2)3-4-14-9-16-18(23)11-19(24-20(16)10-17(14)22)13-5-7-15(21)8-6-13/h3,5-10,19,21-22H,4,11H2,1-2H3/t19-/m0/s1Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
7 names
- 4H-1-Benzopyran-4-one, 2,3-dihydro-7-hydroxy-2-(4-hydroxyphenyl)-6-(3-methyl-2-butenyl)-, (2S)-
- Flavanone, 4′,7-dihydroxy-6-(3-methyl-2-butenyl)-
- 4H-1-Benzopyran-4-one, 2,3-dihydro-7-hydroxy-2-(4-hydroxyphenyl)-6-(3-methyl-2-butenyl)-, (S)-
- (2S)-2,3-Dihydro-7-hydroxy-2-(4-hydroxyphenyl)-6-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one
- Corylifolin
- Corylifolin (flavonoid)
- (2S)-7-Hydroxy-2-(4-hydroxyphenyl)-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
Work with Bavachin
Similar compounds
Bavachinin19879-30-278 % similar
Isoxanthohumol70872-29-660 % similar
8-Prenylnaringenin53846-50-760 % similar
Liquiritigenin578-86-960 % similar
4′-Hydroxyflavanone6515-37-354 % similar
Naringenin480-41-154 % similar
(+-)-Naringenin67604-48-254 % similar
(+-)-Naringenin93602-28-954 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds