Summary

IMPPAT Phytochemical identifier: IMPHY002066

Phytochemical name: (+)-Corypalmine

Synonymous chemical names:
corypalmine

External chemical identifiers:
CID:12304090, ChEMBL:CHEMBL2334886, ZINC:ZINC000029746997, FDASRS:4W94X1E4XQ, SureChEMBL:SCHEMBL2742469, MolPort-000-882-010

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Chemical structure information

SMILES:
COc1c(OC)ccc2c1CN1CCc3c([C@H]1C2)cc(c(c3)O)OC

InChI:
InChI=1S/C20H23NO4/c1-23-18-5-4-12-8-16-14-10-19(24-2)17(22)9-13(14)6-7-21(16)11-15(12)20(18)25-3/h4-5,9-10,16,22H,6-8,11H2,1-3H3/t16-/m1/s1

InChIKey:
BMCZTYDZHNTKPR-MRXNPFEDSA-N

DeepSMILES:
COccOC))cccc6CNCCcc[C@H]6C%10))cccc6)O))OC

Functional groups:
CN(C)C, cO, cOC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc2c(c1)CC1c3ccccc3CCN1C2

Scaffold Graph/Node level:
C1CCC2CN3CCC4CCCCC4C3CC2C1

Scaffold Graph level:
C1CCC2CC3C(CCC4CCCCC43)CC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Alkaloids and derivatives

ClassyFire Class: Protoberberine alkaloids and derivatives

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tyrosine alkaloids

NP Classifier Class: Isoquinoline alkaloids, Protoberberine alkaloids

NP-Likeness score: 1.182

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Chemical structure download