Pycnanthine

AlkaPlorer ID: AK311741

Synonym: None

IUPAC Name: None

Structure

SMILES: CC=C1CN2CCC34CN5C6=C(C=CC=C6C36C2CC1C(C(=O)OC)N6C1=CC=CC=C14)C12CCN3CC=CC4(CCC51C4C)C32

copy

InChI: InChI=1S/C40H44N4O2/c1-4-25-22-42-19-16-37-23-43-33-28(38-17-20-41-18-8-13-36(35(38)41)14-15-39(38,43)24(36)2)10-7-11-29(33)40(37)31(42)21-26(25)32(34(45)46-3)44(40)30-12-6-5-9-27(30)37/h4-13,24,26,31-32,35H,14-23H2,1-3H3

copy

InChIKey: GXYWCJFWGXHJQT-UHFFFAOYSA-N

copy

Reference

CAS: 19553-44-7

Source

Properties Information

Molecule Weight: 612.8180000000001

TPSA: 39.260000000000005

MolLogP: 5.119800000000006

Number of H-Donors: 0

Number of H-Acceptors: 6

RingCount: 12

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information