Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID004561

Phytochemical name: Juziphine

Synonymous chemical names:
yuziphine, Yuziphine, Juziphine, juziphine

External chemical identifiers:
CID:CID_14526073, ZINC:ZINC000034310303

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Chemical structure information

SMILES:
COc1ccc2c(c1O)[C@@H](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/t15-/m1/s1

InChIKey:
QRKWLDOOAQAGAE-OAHLLOKOSA-N

DeepSMILES:
COcccccc6O))[C@@H]Ccccccc6))O))))))NCC6))C

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

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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