Summary

IMPPAT Phytochemical identifier: IMPHY014706

Phytochemical name: (R)-Juziphine

Synonymous chemical names:
(+)juziphine

External chemical identifiers:
CID:14526072

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Chemical structure information

SMILES:
COc1ccc2c(c1O)C(Cc1ccc(cc1)O)N(CC2)C

InChI:
InChI=1S/C18H21NO3/c1-19-10-9-13-5-8-16(22-2)18(21)17(13)15(19)11-12-3-6-14(20)7-4-12/h3-8,15,20-21H,9-11H2,1-2H3

InChIKey:
QRKWLDOOAQAGAE-UHFFFAOYSA-N

DeepSMILES:
COcccccc6O))CCcccccc6))O))))))NCC6))C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc(CC2NCCc3ccccc32)cc1

Scaffold Graph/Node level:
C1CCC(CC2NCCC3CCCCC32)CC1

Scaffold Graph level:
C1CCC(CC2CCCC3CCCCC32)CC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Isoquinolines and derivatives

ClassyFire Subclass: Benzylisoquinolines

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tyrosine alkaloids

NP Classifier Class: Isoquinoline alkaloids, Tetrahydroisoquinoline alkaloids

NP-Likeness score: 1.18

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Chemical structure download