Molecule ID: 52950915

IUPAC Name: (1R,6R,13S)-10,13,17-trihydroxy-1-(3-methylbut-2-enyl)-6-prop-1-en-2-yl-2,7,14-trioxapentacyclo[11.7.0.03,11.04,8.015,20]icosa-3(11),4(8),9,15(20),16,18-hexaen-12-one

Description: The molecule is an extended flavonoid that is 1,2,6a,11b-tetrahydro-6H-[1]benzofuro[3,2-b]furo[2,3-h]chromene substituted by hydroxy groups at positions 5, 6a and 9, a prenyl group at position 11b, a prop-1-en-2-yl group at position 2 and an oxo group at position 6. It has been isolated from the twigs of Morus nigra. It has a role as a metabolite and a plant metabolite. It is an extended flavonoid, an organic heteropentacyclic compound and a polyphenol.

SMILES: C=C(C)[C@H]1Cc2c(cc(O)c3c2O[C@]2(CC=C(C)C)c4ccc(O)cc4O[C@]2(O)C3=O)O1

SELFIES: [C][=C][Branch1][C][C][C@H1][C][C][=C][Branch2][Ring2][N][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][O][C@][Branch1][Branch2][C][C][=C][Branch1][C][C][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][O][C@][Ring1][#C][Branch1][C][O][C][Ring2][Ring1][Ring2][=O][O][Ring2][Ring1][=N]

InChI: InChI=1S/C25H24O7/c1-12(2)7-8-24-16-6-5-14(26)9-20(16)31-25(24,29)23(28)21-17(27)11-19-15(22(21)32-24)10-18(30-19)13(3)4/h5-7,9,11,18,26-27,29H,3,8,10H2,1-2,4H3/t18-,24-,25-/m1/s1

Molecular Properties:
- Polar Surface Area: 105.0 Ų
- LogP: 4.9