Molecule ID: 11000892

IUPAC Name: (2Z)-2-[(1S,2S,5R,6S,8R)-5-amino-8-hydroxy-2,6,11-trimethyl-11-azatricyclo[6.2.1.02,6]undecan-9-ylidene]propanoic acid

Description: The molecule is an alklaoid isolated from Glechoma hederaceae. It has a role as a metabolite. It is an alkaloid, a monocarboxylic acid and a tertiary alcohol.

SMILES: C/C(C(=O)O)=C1\C[C@@H]2N(C)[C@@]1(O)C[C@]1(C)[C@H](N)CC[C@]21C

SELFIES: [C][/C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][\C][C@@H1][N][Branch1][C][C][C@@][Ring1][=Branch1][Branch1][C][O][C][C@][Branch1][C][C][C@H1][Branch1][C][N][C][C][C@][Ring1][=N][Ring1][#Branch1][C]

InChI: InChI=1S/C16H26N2O3/c1-9(13(19)20)10-7-12-14(2)6-5-11(17)15(14,3)8-16(10,21)18(12)4/h11-12,21H,5-8,17H2,1-4H3,(H,19,20)/b10-9-/t11-,12+,14-,15-,16-/m1/s1

Molecular Properties:
- Polar Surface Area: 86.8 Ų
- LogP: -1.8