Summary

IMPPAT Phytochemical identifier: IMPHY002369

Phytochemical name: Demethyllycoramine

Synonymous chemical names:
demethyllycoramine

Chemical structure information

SMILES:
O[C@H]1CC[C@@]23[C@H](C1)Oc1c3c(ccc1O)CN(CC2)C

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

InChIKey:
SPGYGGXZMAHIKN-RBOXIYTFSA-N

DeepSMILES:
O[C@H]CC[C@][C@H]C6)Occ5cccc6O))))CNCC%10))C

Functional groups:
CN(C)C, CO, 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: 2.094

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Chemical structure download