Summary

IMPPAT Phytochemical identifier: IMPHY005314

Phytochemical name: Norlaureline

Synonymous chemical names:
norlaureline

External chemical identifiers:
CID:191752

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Chemical structure information

SMILES:
COc1ccc2c(-c3c4[C@@H](C2)NCCc4cc2c3OCO2)c1

InChI:
InChI=1S/C18H17NO3/c1-20-12-3-2-10-6-14-16-11(4-5-19-14)7-15-18(22-9-21-15)17(16)13(10)8-12/h2-3,7-8,14,19H,4-6,9H2,1H3/t14-/m1/s1

InChIKey:
RXJUIQSLHGASSV-CQSZACIVSA-N

DeepSMILES:
COccccc-cc[C@@H]C6)NCCc6ccc%10OCO5)))))))))))))c6

Functional groups:
CNC, c1cOCO1, cOC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc2c(c1)CC1NCCc3cc4c(c-2c31)OCO4

Scaffold Graph/Node level:
C1CCC2C(C1)CC1NCCC3CC4OCOC4C2C31

Scaffold Graph level:
C1CCC2C(C1)CC1CCCC3CC4CCCC4C2C13

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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: 1.659

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Chemical structure download