Summary

IMPPAT Phytochemical identifier: IMPHY007292

Phytochemical name: Noroxyhydrastinine

Synonymous chemical names:
noroxyhydrastinine

External chemical identifiers:
CID:89047, ChEMBL:CHEMBL449731, ZINC:ZINC000001735195, SureChEMBL:SCHEMBL564339, MolPort-000-881-842

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Chemical structure information

SMILES:
O=C1NCCc2c1cc1OCOc1c2

InChI:
InChI=1S/C10H9NO3/c12-10-7-4-9-8(13-5-14-9)3-6(7)1-2-11-10/h3-4H,1-2,5H2,(H,11,12)

InChIKey:
VSOJKDUWYQCWFM-UHFFFAOYSA-N

DeepSMILES:
O=CNCCcc6ccOCOc5c9

Functional groups:
c1cOCO1, cC(=O)NC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1NCCc2cc3c(cc21)OCO3

Scaffold Graph/Node level:
OC1NCCC2CC3OCOC3CC21

Scaffold Graph level:
CC1CCCC2CC3CCCC3CC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Isoquinolines and derivatives

ClassyFire Subclass: Isoquinolones and derivatives

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tyrosine alkaloids

NP-Likeness score: 0.865

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Chemical structure download