Summary

IMPPAT Phytochemical identifier: IMPHY000423

Phytochemical name: 4-Methoxynorsecurinine

Synonymous chemical names:
4-methoxy-norsecurinine

External chemical identifiers:
CID:101091319

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Chemical structure information

SMILES:
COC1CN2[C@H](C1)[C@@]13C[C@H]2C=CC3=CC(=O)O1

InChI:
InChI=1S/C13H15NO3/c1-16-10-5-11-13-6-9(14(11)7-10)3-2-8(13)4-12(15)17-13/h2-4,9-11H,5-7H2,1H3/t9-,10?,11-,13+/m1/s1

InChIKey:
WTUGFBFFNZHNEK-HWCLQQTBSA-N

DeepSMILES:
COCCN[C@H]C5)[C@]C[C@H]5C=CC6=CC=O)O9

Functional groups:
CC=CC1=CC(=O)OC1, CN(C)C, COC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1C=C2C=CC3CC2(O1)C1CCCN31

Scaffold Graph/Node level:
OC1CC2CCC3CC2(O1)C1CCCN31

Scaffold Graph level:
CC1CC2CCC3CC2(C1)C1CCCC31

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Pyrrolizidines

NP Classifier Biosynthetic pathway: Alkaloids

NP-Likeness score: 3.06

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Chemical structure download