Summary

IMPPAT Phytochemical identifier: IMPHY009648

Phytochemical name: Norstephalagine

Synonymous chemical names:
norstephalagine

External chemical identifiers:
CID:133381, ChEMBL:CHEMBL257745

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Chemical structure information

SMILES:
COc1c2OCOc2c2-c3ccccc3C[C@@H]3c2c1CCN3

InChI:
InChI=1S/C18H17NO3/c1-20-16-12-6-7-19-13-8-10-4-2-3-5-11(10)15(14(12)13)17-18(16)22-9-21-17/h2-5,13,19H,6-9H2,1H3/t13-/m1/s1

InChIKey:
TYZKUSBTFHNPMV-CYBMUJFWSA-N

DeepSMILES:
COccOCOc5c-cccccc6C[C@@H]c%10c%17CCN6

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: 1.733

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Chemical structure download