Molecule ID: 11346162

IUPAC Name: (1S,2S,3S)-3-methoxy-2-[(E)-6-methylhept-2-en-2-yl]-4-oxocyclohexane-1-carbaldehyde

Description: The molecule is a cyclic ketone and a ketoaldehyde. It has a role as an angiogenesis inhibitor. It derives from a cyclohexanone and a fumagalone.

SMILES: CO[C@@H]1C(=O)CC[C@H](C=O)[C@H]1/C(C)=C/CCC(C)C

SELFIES: [C][O][C@@H1][C][=Branch1][C][=O][C][C][C@H1][Branch1][Ring1][C][=O][C@H1][Ring1][=Branch2][/C][Branch1][C][C][=C][/C][C][C][Branch1][C][C][C]

InChI: InChI=1S/C16H26O3/c1-11(2)6-5-7-12(3)15-13(10-17)8-9-14(18)16(15)19-4/h7,10-11,13,15-16H,5-6,8-9H2,1-4H3/b12-7+/t13-,15-,16-/m1/s1

Molecular Properties:
- Polar Surface Area: 43.4 Ų
- LogP: 3.0