Isoorientin
Properties
- Molecular formula
- C21H20O11
- Molar mass
- 448.38 g/mol
- Exact mass
- 448.1006 Da
- Melting point
- 236–237 °C (decomposes)
- logP
- -0.20Crippen estimate
- Polar surface area
- 201.3 Ų
- H-bond donors / acceptors
- 8 / 11
- Rotatable bonds
- 3
- Stereocentres
- S, R, S, R, Rin SMILES atom order
Hazards
Not classified as hazardous under GHS by 2 ECHA notifiers. Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Identifiers
CAS number
4261-42-1SMILES
O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c12InChIKey
ODBRNZZJSYPIDI-VJXVFPJBSA-NInChI
InChI=1S/C21H20O11/c22-6-14-17(27)19(29)20(30)21(32-14)16-11(26)5-13-15(18(16)28)10(25)4-12(31-13)7-1-2-8(23)9(24)3-7/h1-5,14,17,19-24,26-30H,6H2/t14-,17-,19+,20-,21+/m1/s1Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
11 names
- 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-6-β-D-glucopyranosyl-5,7-dihydroxy-
- 2-(3,4-Dihydroxyphenyl)-6-β-D-glucopyranosyl-5,7-dihydroxy-4H-1-benzopyran-4-one
- Homoorientin
- Lutonaretin
- Lespecapitioside
- Lespecapitoside
- Luteolin 6-C-glucoside
- Luteolin 6-C-β-D-glucopyranoside
- Flavone, 6-β-D-glucopyranosyl-3′,4′,5,7-tetrahydroxy-
- 3′,4′,5,7-Tetrahydroxy-6-C-glucopyranosylflavone
- Luteolin 6-C-β-D-glucoside
Work with Isoorientin
Similar compounds
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2-(3,4-Dihydroxyphenyl)-8-(2-O-beta-L-galactopyranosyl-beta-D-glucopyranosyl)-5,7-dihydroxy-4H-1-benzopyran-4-one861691-37-464 % similar
Mangiferin4773-96-063 % similar
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Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds