Molecule ID: 11994820

IUPAC Name: 6-hydroxy-2-[(E)-3-hydroxybut-1-enyl]-7-(3-methylbut-2-enyl)-3,4-dihydro-2H-chromene-5-carbaldehyde

Description: The molecule is a chromenol that is 3,4-dihydro-2H-chromene substituted by a hydroxy group at position 6, a 3-hydroxybut-1-en-1-yl at position 2, a formyl group at position 5 and a prenyl group at position 7. Isolated from Chaetomium globosum, it exhibits radical scavenging and cytotoxic activity towards several tumour cell lines. It has a role as a radical scavenger and a Chaetomium metabolite. It is a chromenol and an aldehyde.

SMILES: CC(C)=CCc1cc2c(c(C=O)c1O)CCC(/C=C/C(C)O)O2

SELFIES: [C][C][Branch1][C][C][=C][C][C][=C][C][=C][Branch1][#Branch2][C][Branch1][Ring1][C][=O][=C][Ring1][Branch2][O][C][C][C][Branch1][Branch2][/C][=C][/C][Branch1][C][C][O][O][Ring1][S]

InChI: InChI=1S/C19H24O4/c1-12(2)4-6-14-10-18-16(17(11-20)19(14)22)9-8-15(23-18)7-5-13(3)21/h4-5,7,10-11,13,15,21-22H,6,8-9H2,1-3H3/b7-5+

Molecular Properties:
- Polar Surface Area: 66.8 Ų
- LogP: 3.9