Summary

IMPPAT Phytochemical identifier: IMPHY013731

Phytochemical name: Norrufescine

Synonymous chemical names:
norruffscine

External chemical identifiers:
CID:135778936, ChEMBL:CHEMBL155844, ZINC:ZINC000014615456

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Chemical structure information

SMILES:
COc1c2-c3ccc(cc3-c3c2c(c(c1OC)OC)ccn3)O

InChI:
InChI=1S/C18H15NO4/c1-21-16-11-6-7-19-15-12-8-9(20)4-5-10(12)14(13(11)15)17(22-2)18(16)23-3/h4-8,20H,1-3H3

InChIKey:
NEVBZBLAKXUEPJ-UHFFFAOYSA-N

DeepSMILES:
COcc-cccccc6-cc9ccc%13OC)))OC)))ccn6))))))))O

Functional groups:
cO, cOC, cnc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc2c(c1)-c1cccc3ccnc-2c13

Scaffold Graph/Node level:
C1CCC2C(C1)C1CCCC3CCNC2C31

Scaffold Graph level:
C1CCC2C(C1)C1CCCC3CCCC2C31

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Isoquinolines and derivatives

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tyrosine alkaloids

NP Classifier Class: Aporphine alkaloids, Isoquinoline alkaloids

NP-Likeness score: 1.311

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Chemical structure download