Summary

IMPPAT Phytochemical identifier: IMPHY002442

Phytochemical name: Corydine

Synonymous chemical names:
(+)-corydine, corydine

External chemical identifiers:
CID:10153, ChEMBL:CHEMBL489524, ZINC:ZINC000001651264, FDASRS:1O1D15OP5R, SureChEMBL:SCHEMBL680230, MolPort-000-881-669

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Chemical structure information

SMILES:
COc1cc2CCN([C@@H]3c2c(-c2c(C3)ccc(c2OC)OC)c1O)C

InChI:
InChI=1S/C20H23NO4/c1-21-8-7-12-10-15(24-3)19(22)18-16(12)13(21)9-11-5-6-14(23-2)20(25-4)17(11)18/h5-6,10,13,22H,7-9H2,1-4H3/t13-/m0/s1

InChIKey:
IDQUPXZJURZAGF-ZDUSSCGKSA-N

DeepSMILES:
COcccCCN[C@@H]c6c-ccC6)cccc6OC)))OC)))))))c%10O)))))C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc2c(c1)CC1NCCc3cccc-2c31

Scaffold Graph/Node level:
C1CCC2C(C1)CC1NCCC3CCCC2C31

Scaffold Graph level:
C1CCC2C(C1)CC1CCCC3CCCC2C31

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Alkaloids and derivatives

ClassyFire Class: Aporphines

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tyrosine alkaloids

NP Classifier Class: Aporphine alkaloids, Isoquinoline alkaloids

NP-Likeness score: 1.501

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Chemical structure download