Summary

IMPPAT Phytochemical identifier: IMPHY004245

Phytochemical name: Sophoridine

Synonymous chemical names:
sophoridine

External chemical identifiers:
CID:165549, ChEMBL:CHEMBL1824581, ZINC:ZINC000003881785, FDASRS:W5S1M800J7, SureChEMBL:SCHEMBL564578, MolPort-002-507-291

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Chemical structure information

SMILES:
O=C1CCC[C@H]2N1C[C@H]1CCCN3[C@@H]1[C@@H]2CCC3

InChI:
InChI=1S/C15H24N2O/c18-14-7-1-6-13-12-5-3-9-16-8-2-4-11(15(12)16)10-17(13)14/h11-13,15H,1-10H2/t11-,12-,13-,15+/m1/s1

InChIKey:
ZSBXGIUJOOQZMP-BHPKHCPMSA-N

DeepSMILES:
O=CCCC[C@H]N6C[C@H]CCCN[C@@H]6[C@@H]%10CCC6

Functional groups:
CC(=O)N(C)C, CN(C)C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CCCC2C3CCCN4CCCC(CN12)C34

Scaffold Graph/Node level:
OC1CCCC2C3CCCN4CCCC(CN12)C34

Scaffold Graph level:
CC1CCCC2C1CC1CCCC3CCCC2C31

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Alkaloids and derivatives

ClassyFire Class: Lupin alkaloids

ClassyFire Subclass: Matrine alkaloids

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Lysine alkaloids

NP Classifier Class: Quinolizidine alkaloids

NP-Likeness score: 1.171

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Chemical structure download