Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID015367

Phytochemical name: Norcinnamolaurine

Synonymous chemical names:
Norcinnamolaurine, norcinnamolaurine

External chemical identifiers:
CID:CID_22217550, ZINC:ZINC000013397180, FDASRS:FT4N339CWM

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Chemical structure information

SMILES:
Oc1ccc(cc1)C[C@H]1NCCc2c1cc1OCOc1c2

InChI:
InChI=1S/C17H17NO3/c19-13-3-1-11(2-4-13)7-15-14-9-17-16(20-10-21-17)8-12(14)5-6-18-15/h1-4,8-9,15,18-19H,5-7,10H2/t15-/m1/s1

InChIKey:
IZZKMFBIJVLUFA-OAHLLOKOSA-N

DeepSMILES:
Occcccc6))C[C@H]NCCcc6ccOCOc5c9

Functional groups:
cO, CNC, c1cOCO1

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc(CC2NCCc3cc4c(cc32)OCO4)cc1

Scaffold Graph/Node level:
C1CCC(CC2NCCC3CC4OCOC4CC32)CC1

Scaffold Graph level:
C1CCC(CC2CCCC3CC4CCCC4CC23)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

NP-Likeness score: 1.216

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Chemical structure download