corynoline
AlkaPlorer ID: AK009157
Synonym: '(+)-corynoline', '(11S,13R,14R)-corynoline', '13-Methylchelidonine', '(5bR,6S,12bR)-5b,13-dimethyl-5b,6,7,12b,13,14-hexahydro1,3benzodioxolo5,6-c1,3dioxolo4,5-iphenanthridin-6-ol', 'Corynoline', '(+)-Corynoline'
IUPAC Name: (1R,12S,13R)-13,24-dimethyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.02,10.04,8.014,22.017,21]tetracosa-2,4(8),9,14(22),15,17(21)-hexaen-12-ol
Structure
SMILES: CN1CC2=C3OCOC3=CC=C2[C@@]2(C)[C@@H](O)CC3=CC4=C(C=C3[C@@H]12)OCO4
InChI: InChI=1S/C21H21NO5/c1-21-14-3-4-15-19(27-10-24-15)13(14)8-22(2)20(21)12-7-17-16(25-9-26-17)5-11(12)6-18(21)23/h3-5,7,18,20,23H,6,8-10H2,1-2H3/t18-,20+,21-/m0/s1
InChIKey: IQUGPRHKZNCHGC-TYPHKJRUSA-N
Reference
Chemical Study of Alkaloids from<i>Corydalis bungeana</i>
PubChem CID: 177014
CAS: 18797-79-0
LOTUS: LTS0195503
SuperNatural Ⅲ: SN0152821-07
NPASS: NPC202918
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Corydalis incisa | Corydalis | Papaveraceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Corydalis bungeana | Corydalis | Papaveraceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 367.4010000000001
TPSA？: 60.390000000000015
MolLogP？: 2.5054000000000007
Number of H-Donors: 1
Number of H-Acceptors: 6
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Monoamine oxidase A | Activity | 87.9 | % | 10.1016/j.bmcl.2018.06.023 |
| Homo sapiens | Monoamine oxidase A | IC50 | 20000.0 | nM | 10.1016/j.bmcl.2018.06.023 |
| Homo sapiens | Monoamine oxidase B | Activity | 87.6 | % | 10.1016/j.bmcl.2018.06.023 |
| Homo sapiens | Monoamine oxidase B | IC50 | 20000.0 | nM | 10.1016/j.bmcl.2018.06.023 |
| Mus musculus | RAW264.7 | IC50 | 2510.0 | nM | 10.1016/j.bmcl.2018.05.039 |