Hirsuteine
AlkaPlorer ID: AK019356
Synonym: '3-Epicorynantheine'
IUPAC Name: methyl (Z)-2-[(2S,3R,12bR)-3-ethenyl-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-yl]-3-methoxyprop-2-enoate
Structure
SMILES: C=C[C@H]1CN2CCC3=C(NC4=CC=CC=C34)[C@H]2C[C@@H]1/C(=C/OC)C(=O)OC
InChI: InChI=1S/C22H26N2O3/c1-4-14-12-24-10-9-16-15-7-5-6-8-19(15)23-21(16)20(24)11-17(14)18(13-26-2)22(25)27-3/h4-8,13-14,17,20,23H,1,9-12H2,2-3H3/b18-13-/t14-,17-,20+/m0/s1
InChIKey: TZUGIFAYWNNSAO-NFYKLEGGSA-N
Source
Properties Information
Molecule Weight: 366.4610000000002
TPSA？: 54.56
MolLogP？: 3.592500000000002
Number of H-Donors: 1
Number of H-Acceptors: 4
RingCount: 4
Activities Information
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