noscapine   Click here for help

GtoPdb Ligand ID: 10212

Comment: Noscapine is an alkaloid derived from the opium poppy Papaver somniferum, that has mild analgesic, antitussive, and potential antineoplastic activities.
2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 0
Rotatable bonds 4
Topological polar surface area 75.69
Molecular weight 413.15
XLogP 2.5
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES COc1ccc2c(c1OC)C(=O)OC2C1N(C)CCc2c1c(OC)c1c(c2)OCO1
Isomeric SMILES COc1ccc2c(c1OC)C(=O)O[C@@H]2[C@@H]1N(C)CCc2c1c(OC)c1c(c2)OCO1
InChI InChI=1S/C22H23NO7/c1-23-8-7-11-9-14-20(29-10-28-14)21(27-4)15(11)17(23)18-12-5-6-13(25-2)19(26-3)16(12)22(24)30-18/h5-6,9,17-18H,7-8,10H2,1-4H3/t17-,18+/m1/s1
InChI Key AKNNEGZIBPJZJG-MSOLQXFVSA-N
Classification Click here for help
Compound class Natural product or derivative
IUPAC Name Click here for help
(3S)-6,7-dimethoxy-3-[(5R)-4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-3H-2-benzofuran-1-one
Database Links Click here for help
CAS Registry No. 128-62-1
DrugCentral Ligand 1973
GtoPdb PubChem SID 381744894
PubChem CID 275196
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