3′,4′,7-Trihydroxyisoflavone
Properties
- Molecular formula
- C15H10O5
- Molar mass
- 270.24 g/mol
- Exact mass
- 270.0528 Da
- Melting point
- 245–250 °C
- logP
- 2.58Crippen estimate
- Polar surface area
- 90.9 Ų
- H-bond donors / acceptors
- 3 / 5
- Rotatable bonds
- 1
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation100% of notifiers
Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
485-63-2SMILES
O=c1c(-c2ccc(O)c(O)c2)coc2cc(O)ccc12InChIKey
DDKGKOOLFLYZDL-UHFFFAOYSA-NInChI
InChI=1S/C15H10O5/c16-9-2-3-10-14(6-9)20-7-11(15(10)19)8-1-4-12(17)13(18)5-8/h1-7,16-18HWeigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
6 names
- 3',4',7-Trihydroxyisoflavone
- 4H-1-Benzopyran-4-one, 3-(3,4-dihydroxyphenyl)-7-hydroxy-
- Isoflavone, 3′,4′,7-trihydroxy-
- 3-(3,4-Dihydroxyphenyl)-7-hydroxy-4H-1-benzopyran-4-one
- 3′-Hydroxydaidzein
- 7,3′,4′-Trihydroxyisoflavone
Work with 3′,4′,7-Trihydroxyisoflavone
Similar compounds
Daidzein486-66-877 % similar
Calycosin20575-57-972 % similar
7-Hydroxyisoflavone13057-72-269 % similar
Neobavaisoflavone41060-15-564 % similar
Formononetin485-72-364 % similar
Fisetin528-48-360 % similar
Glycitein40957-83-358 % similar
3-(2,2-Dimethyl-2H-1-benzopyran-6-yl)-7-hydroxy-4H-1-benzopyran-4-one53947-92-555 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.