Molecule ID: 11373102

IUPAC Name: (6aS,6bS,8aR,14aR)-3-hydroxy-4,6a,6b,8a,14a-pentamethyl-11-methylidene-7,8,9,10,12,12a,13,14-octahydropicen-2-one

Description: The molecule is a pentacyclic triterpenoid that is a bisnortriterpene isolated from Salacia madagascariensis and exhibits antileishmanial and antileukemic activities. It has a role as a metabolite, an antileishmanial agent and an antineoplastic agent. It is a pentacyclic triterpenoid, an enone, an enol and a member of quinomethanes.

SMILES: C=C1CC[C@]2(C)CC[C@]3(C)C4=CC=C5C(=CC(=O)C(O)=C5C)[C@]4(C)CC[C@@]3(C)C2C1

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

InChI: InChI=1S/C28H36O2/c1-17-9-10-25(3)11-13-27(5)22-8-7-19-18(2)24(30)21(29)16-20(19)26(22,4)12-14-28(27,6)23(25)15-17/h7-8,16,23,30H,1,9-15H2,2-6H3/t23?,25-,26+,27-,28+/m1/s1

Molecular Properties:
- Polar Surface Area: 37.3 Ų
- LogP: 6.3