Molecule ID: 21579664

IUPAC Name: (6,7-dimethoxy-2-oxochromen-4-yl)methyl 3-methylbut-2-enoate

Description: The molecule is a member of the class of coumarins that consists of coumarin substituted by a senecioyloxymethyl group at position 4 and methoxy groups at positions 6 and 7. Isolated from Crinum latifolium, it exhibits anti-angiogenic activity. It has a role as a metabolite and an angiogenesis modulating agent. It is a member of coumarins, an enoate ester and an aromatic ether. It derives from a 3-methylbut-2-enoic acid.

SMILES: COc1cc2oc(=O)cc(COC(=O)C=C(C)C)c2cc1OC

SELFIES: [C][O][C][=C][C][O][C][=Branch1][C][=O][C][=C][Branch1][=N][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][C][C][=Ring1][#C][C][=C][Ring2][Ring1][Ring1][O][C]

InChI: InChI=1S/C17H18O6/c1-10(2)5-16(18)22-9-11-6-17(19)23-13-8-15(21-4)14(20-3)7-12(11)13/h5-8H,9H2,1-4H3

Molecular Properties:
- Polar Surface Area: 71.1 Ų
- LogP: 2.5