Molecule ID: 25058109

IUPAC Name: (6E,10E,14E,18E)-2,23-bis(hydroxymethyl)-6,10,15,19-tetramethyltetracosa-2,6,10,14,18,22-hexaene-1,24-diol

Description: The molecule is a triterpenoid that is squalene substituted by four hydroxy groups. It is isolated from Rhus taitensis and has been shown to exhibit antimycobacterial activity. It has a role as a metabolite and an antimycobacterial drug. It is a triterpenoid, a tetrol and a primary alcohol. It derives from a hydride of a squalene.

SMILES: C/C(=C\CC/C(C)=C/CC/C=C(\C)CC/C=C(\C)CCC=C(CO)CO)CCC=C(CO)CO

SELFIES: [C][/C][=Branch2][Ring1][P][=C][\C][C][/C][Branch1][C][C][=C][/C][C][/C][=C][Branch1][C][\C][C][C][/C][=C][Branch1][C][\C][C][C][C][=C][Branch1][Ring1][C][O][C][O][C][C][C][=C][Branch1][Ring1][C][O][C][O]

InChI: InChI=1S/C30H50O4/c1-25(13-7-15-27(3)17-9-19-29(21-31)22-32)11-5-6-12-26(2)14-8-16-28(4)18-10-20-30(23-33)24-34/h11-12,15-16,19-20,31-34H,5-10,13-14,17-18,21-24H2,1-4H3/b25-11+,26-12+,27-15+,28-16+

Molecular Properties:
- Polar Surface Area: 80.9 Ų
- LogP: 6.6