Corydalmine
AlkaPlorer ID: AK001769
Synonym: '(-)-corydalmine', 'Schefferine', '(-)-Corydalmine', 'Corydalmine', '(-)-Kikemanine', 'Kikemanine', 'Kikemanin'
IUPAC Name: (13aS)-2,3,9-trimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-10-ol
Structure
SMILES: COC1=CC2=C(C=C1OC)[C@@H]1CC3=C(CN1CC2)C(OC)=C(O)C=C3
InChI: InChI=1S/C20H23NO4/c1-23-18-9-13-6-7-21-11-15-12(4-5-17(22)20(15)25-3)8-16(21)14(13)10-19(18)24-2/h4-5,9-10,16,22H,6-8,11H2,1-3H3/t16-/m0/s1
InChIKey: DIHXHTWYVOYYDC-INIZCTEOSA-N
Reference
PubChem CID: 161665
CAS: 35401-80-0
LOTUS: LTS0074838
SuperNatural Ⅲ: SN0066484-02
NPASS: NPC184026
Source
Properties Information
Molecule Weight: 341.407
TPSA?: 51.16
MolLogP?: 3.073500000000002
Number of H-Donors: 1
Number of H-Acceptors: 5
RingCount: 4
