3-[2,4-dihydroxy-3-(3-methylbut-2-enyl)phenyl]-5,7-dihydroxy-6-[(2R)-2-hydroxy-3-methylbut-3-enyl]chromen-4-one

HCID 178966035

Substructure search Find similar structures

Basic information

Standard SMILES: C=C(C)[C@H](O)Cc1c(O)cc2occ(-c3ccc(O)c(CC=C(C)C)c3O)c(=O)c2c1O
InChIKey: OFSUVJPCIYIGKX-LJQANCHMSA-N
Molecular formula: C25H26O7
Average molar mass: 438.5 g/mol
Monoisotopic mass: 438.16785317

Overview

3-[2,4-dihydroxy-3-(3-methylbut-2-enyl)phenyl]-5,7-dihydroxy-6-[(2R)-2-hydroxy-3-methylbut-3-enyl]chromen-4-one has been reported in Lupinus albus with data available.

Names & identifiers

Preferred name: 3-[2,4-dihydroxy-3-(3-methylbut-2-enyl)phenyl]-5,7-dihydroxy-6-[(2R)-2-hydroxy-3-methylbut-3-enyl]chromen-4-one
IUPAC: 3-[2,4-dihydroxy-3-(3-methylbut-2-enyl)phenyl]-5,7-dihydroxy-6-[(2R)-2-hydroxy-3-methylbut-3-enyl]chromen-4-one

Properties

Computed structural properties

XLogP: 5.1
Topological polar surface area: 127 Å²
Hydrogen bond donors: 5
Hydrogen bond acceptors: 7
Rotatable bonds: 6
Heavy atoms: 32
Formal charge: 0
Complexity: 768

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…