Molecule ID: 6710643

IUPAC Name: (6aS)-6a,9,10-trihydroxy-6,7-dihydroindeno[2,1-c]chromen-3-one

Description: The molecule is a organic heterotetracyclic compound that is a red pigment obtained from the wood of Caesalpinia echinata (Brazil-wood) or Caesalpinia sappan (sappan-wood). It has a role as a histological dye, a biological pigment, an immunosuppressive agent, a plant metabolite, an anti-inflammatory agent, an antibacterial agent, an antineoplastic agent, an antioxidant, an EC 1.14.18.1 (tyrosinase) inhibitor, an EC 3.4.24.24 (gelatinase A) inhibitor and an EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor. It is an organic heterotetracyclic compound, a tertiary alcohol, a member of phenols, an enol and a member of quinomethanes.

SMILES: O=C1C=CC2=C3c4cc(O)c(O)cc4C[C@@]3(O)COC2=C1

SELFIES: [O][=C][C][=C][C][=C][C][=C][C][Branch1][C][O][=C][Branch1][C][O][C][=C][Ring1][Branch2][C][C@@][Ring1][O][Branch1][C][O][C][O][C][Ring1][S][=C][Ring2][Ring1][Ring2]

InChI: InChI=1S/C16H12O5/c17-9-1-2-10-14(4-9)21-7-16(20)6-8-3-12(18)13(19)5-11(8)15(10)16/h1-5,18-20H,6-7H2/t16-/m1/s1

Molecular Properties:
- Polar Surface Area: 87.0 Ų
- LogP: 0.1