Molecule ID: 24820754

IUPAC Name: [(1S,12R,13R,14R,15E)-15-ethylidene-3,17-diazapentacyclo[12.3.1.02,10.04,9.012,17]octadeca-2(10),4,6,8-tetraen-13-yl]methanol

Description: The molecule is an indole alkaloid that is sarpagan bearing a hydroxy group at position 17. It is an indole alkaloid, a primary alcohol and a tertiary amino compound. It derives from a sarpagan.

SMILES: C/C=C1/CN2[C@@H]3Cc4c([nH]c5ccccc45)[C@@H]2C[C@@H]1[C@H]3CO

SELFIES: [C][/C][=C][/C][N][C@@H1][C][C][=C][Branch1][N][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C@@H1][Ring1][=N][C][C@@H1][Ring1][P][C@H1][Ring1][#C][C][O]

InChI: InChI=1S/C19H22N2O/c1-2-11-9-21-17-8-14-12-5-3-4-6-16(12)20-19(14)18(21)7-13(11)15(17)10-22/h2-6,13,15,17-18,20,22H,7-10H2,1H3/b11-2-/t13-,15+,17+,18-/m0/s1

Molecular Properties:
- Polar Surface Area: 39.3 Ų
- LogP: 2.1