Molecule ID: 11627276

IUPAC Name: (1S,2R,4S,5S,6R,12R,13R,14S,16R)-14-(dimethylamino)-5-isoquinolin-7-yl-6-methyl-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-8,10-diene-4,12,13-triol

Description: The molecule is a member of the class of cortistatins that is cortistatin A in which the hydrogen at the 16beta position has been replaced by a hydroxy group. It is a member of cortistatins, a diol and a secondary alcohol. It derives from a cortistatin A.

SMILES: CN(C)[C@H]1C[C@@]23CC[C@@]4(O2)C(=CC[C@@]2(C)[C@H]4C[C@H](O)[C@@H]2c2ccc4ccncc4c2)C=C3[C@@H](O)[C@@H]1O

SELFIES: [C][N][Branch1][C][C][C@H1][C][C@@][C][C][C@@][Branch1][Ring2][O][Ring1][Branch1][C][=Branch2][Ring1][S][=C][C][C@@][Branch1][C][C][C@H1][Ring1][Branch2][C][C@H1][Branch1][C][O][C@@H1][Ring1][#Branch1][C][=C][C][=C][C][=C][N][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][O][C@@H1][Branch1][C][O][C@@H1][Ring2][Ring1][S][O]

InChI: InChI=1S/C30H36N2O4/c1-28-8-6-20-13-21-26(34)27(35)22(32(2)3)15-29(21)9-10-30(20,36-29)24(28)14-23(33)25(28)18-5-4-17-7-11-31-16-19(17)12-18/h4-7,11-13,16,22-27,33-35H,8-10,14-15H2,1-3H3/t22-,23-,24+,25-,26+,27+,28-,29+,30+/m0/s1

Molecular Properties:
- Polar Surface Area: 86.0 Ų
- LogP: 1.6