Summary

IMPPAT Phytochemical identifier: IMPHY012639

Phytochemical name: Oxyhydrostinine

Synonymous chemical names:
oxyhydrostinine

External chemical identifiers:
CID:595773

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Chemical structure information

SMILES:
CC1NCc2c(C1=O)cc1c(c2)OCO1

InChI:
InChI=1S/C11H11NO3/c1-6-11(13)8-3-10-9(14-5-15-10)2-7(8)4-12-6/h2-3,6,12H,4-5H2,1H3

InChIKey:
WIZLDKKUCOXANK-UHFFFAOYSA-N

DeepSMILES:
CCNCccC6=O))cccc6)OCO5

Functional groups:
CNC, c1cOCO1, cC(C)=O

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CNCc2cc3c(cc21)OCO3

Scaffold Graph/Node level:
OC1CNCC2CC3OCOC3CC12

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 Classifier Class: Amarylidaceae alkaloids

NP-Likeness score: 0.961

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Chemical structure download