Summary

IMPPAT Phytochemical identifier: IMPHY001273

Phytochemical name: N-Demethyllycoramine

Synonymous chemical names:
o-demethyllycoramine

External chemical identifiers:
CID:102065728

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Chemical structure information

SMILES:
COc1ccc2c3c1O[C@@H]1[C@]3(CCNC2)CC[C@@H](C1)O

InChI:
InChI=1S/C16H21NO3/c1-19-12-3-2-10-9-17-7-6-16-5-4-11(18)8-13(16)20-15(12)14(10)16/h2-3,11,13,17-18H,4-9H2,1H3/t11-,13-,16+/m0/s1

InChIKey:
LBIHNERKYNXGRF-DETPVDSQSA-N

DeepSMILES:
COcccccc6O[C@@H][C@]5CCNC%10))))CC[C@@H]C6)O

Functional groups:
CNC, CO, cOC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1cc2c3c(c1)OC1CCCCC31CCNC2

Scaffold Graph/Node level:
C1CC2CNCCC34CCCCC3OC(C1)C24

Scaffold Graph level:
C1CCC23CCCCC2CC2CCCC(C1)C23

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Alkaloids and derivatives

ClassyFire Class: Amaryllidaceae alkaloids

ClassyFire Subclass: Galanthamine-type amaryllidaceae alkaloids

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tyrosine alkaloids

NP Classifier Class: Amarylidaceae alkaloids

NP-Likeness score: 2.028

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Chemical structure download