Summary

IMPPAT Phytochemical identifier: IMPHY010525

Phytochemical name: Norhyoscine

Synonymous chemical names:
norhyoscine, norscopolamine

External chemical identifiers:
CID:92989

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Chemical structure information

SMILES:
OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2N[C@H](C1)[C@@H]1[C@H]2O1

InChI:
InChI=1S/C16H19NO4/c18-8-11(9-4-2-1-3-5-9)16(19)20-10-6-12-14-15(21-14)13(7-10)17-12/h1-5,10-15,17-18H,6-8H2/t10?,11-,12-,13+,14-,15+/m1/s1

InChIKey:
MOYZEMOPQDTDHA-YQYZCKNZSA-N

DeepSMILES:
OC[C@H]cccccc6))))))C=O)OCC[C@@H]N[C@H]C6)[C@@H][C@H]5O3

Functional groups:
CNC, CO, COC(C)=O, C[C@@H]1O[C@@H]1C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C(Cc1ccccc1)OC1CC2NC(C1)C1OC21

Scaffold Graph/Node level:
OC(CC1CCCCC1)OC1CC2NC(C1)C1OC21

Scaffold Graph level:
CC(CC1CCCCC1)CC1CC2CC(C1)C1CC21

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic acids and derivatives

ClassyFire Class: Hydroxy acids and derivatives

ClassyFire Subclass: Beta hydroxy acids and derivatives

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Ornithine alkaloids

NP Classifier Class: Tropane alkaloids

NP-Likeness score: 1.346

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Chemical structure download