Casticin
Properties
- Molecular formula
- C19H18O8
- Molar mass
- 374.35 g/mol
- Exact mass
- 374.1002 Da
- Melting point
- 186–187 °C
- logP
- 2.91Crippen estimate
- Polar surface area
- 107.6 Ų
- H-bond donors / acceptors
- 2 / 8
- Rotatable bonds
- 5
Identifiers
CAS number
479-91-4SMILES
COc1ccc(-c2oc3cc(OC)c(OC)c(O)c3c(=O)c2OC)cc1OInChIKey
PJQLSMYMOKWUJG-UHFFFAOYSA-NInChI
InChI=1S/C19H18O8/c1-23-11-6-5-9(7-10(11)20)17-19(26-4)16(22)14-12(27-17)8-13(24-2)18(25-3)15(14)21/h5-8,20-21H,1-4H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
11 names
- 4H-1-Benzopyran-4-one, 5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,6,7-trimethoxy-
- Flavone, 3′,5-dihydroxy-3,4′,6,7-tetramethoxy-
- 5-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,6,7-trimethoxy-4H-1-benzopyran-4-one
- Vitexicarpin
- Casticine
- 5,3′-Dihydroxy-3,6,7,4′-tetramethoxyflavone
- 3,6,7,4′-Tetra-O-methyl-5,3′-dihydroxyflavone
- Quercetagetin 3,6,7,4′-tetramethyl ether
- 3,6,7,4′-Tetra-O-methylquercetagetin
- 5,12-Dihydroxy-2,6,7,13-tetramethoxyflavone
- Vitexcarpin
Work with Casticin
Similar compounds
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Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds