8-Hy-droxy-6-meth-oxy-7-(3-methyl-but-2-en-yloxy)coumarin (capensine)

IUCrdata. 2021 May 11;6(Pt 5):x210451. doi: 10.1107/S241431462100451X. eCollection 2021 May.

Abstract

The title coumarin derivative, C15H16O5, was isolated from the roots of Sophora japonica. The coumarin (2H-chromen-2-one) fragment is almost planar, with an r.m.s. deviation of 0.0356 Å. The carbon atom of the meth-oxy substituent is coplanar with the benzo-pyran oxa-heterocycle. The 3-methyl-but-2-en-yloxy group is disordered over two sets of sites with occupation factors of 0.920 (3) and 0.080 (3). In the crystal, mol-ecules are linked by O-H⋯O and C-H⋯O hydrogen bonds into chains propagating along the [101] direction.

Keywords: capensin; coumarin; crystal structure; hydrogen bonding; isolation; natural product.

Grants and funding

Funding for this research was provided by: Central Asian Drug Discovery and Development Center (grant CAM 201907).