Molecule ID: 160270

IUPAC Name: (5S)-9-methoxy-14-methyl-5,19-diphenyl-4,12,18-trioxapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-1(21),2,8,10,13,16,19-heptaen-15-one

Description: The molecule is a proanthocyanidin isolated from Dracaena draco. It has a role as a plant metabolite. It is a proanthocyanidin and an aromatic ether.

SMILES: COc1cc2oc3c(C)c(=O)cc4oc(-c5ccccc5)cc(c2c2c1CC[C@@H](c1ccccc1)O2)c43

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

InChI: InChI=1S/C32H24O5/c1-18-23(33)16-27-29-22(15-25(35-27)20-11-7-4-8-12-20)30-28(37-31(18)29)17-26(34-2)21-13-14-24(36-32(21)30)19-9-5-3-6-10-19/h3-12,15-17,24H,13-14H2,1-2H3/t24-/m0/s1

Molecular Properties:
- Polar Surface Area: 54.0 Ų
- LogP: 5.3