Summary

IMPPAT Phytochemical identifier: IMPHY012644

Phytochemical name: (-)-Coreximine

Synonymous chemical names:
(-)-coreximine, coreximine

External chemical identifiers:
CID:601259

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Chemical structure information

SMILES:
COc1cc2CN3CCc4c(C3Cc2cc1O)cc(c(c4)OC)O

InChI:
InChI=1S/C19H21NO4/c1-23-18-7-11-3-4-20-10-13-8-19(24-2)16(21)6-12(13)5-15(20)14(11)9-17(18)22/h6-9,15,21-22H,3-5,10H2,1-2H3

InChIKey:
BWUQAWCUJMATJS-UHFFFAOYSA-N

DeepSMILES:
COcccCNCCccC6Cc%10cc%14O))))))cccc6)OC)))O

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: 1.011

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Chemical structure download