Summary

IMPPAT Phytochemical identifier: IMPHY006960

Phytochemical name: Yuzirin

Synonymous chemical names:
yuzirin

External chemical identifiers:
CID:85867758

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Chemical structure information

SMILES:
COc1cc2C=CN/C(=C/3C=CC(=O)C=C3)/c2cc1O

InChI:
InChI=1S/C16H13NO3/c1-20-15-8-11-6-7-17-16(13(11)9-14(15)19)10-2-4-12(18)5-3-10/h2-9,17,19H,1H3

InChIKey:
QFUGBCWAFNXHEU-UHFFFAOYSA-N

DeepSMILES:
COcccC=CN/C=CC=CC=O)C=C6))))))/c6cc%10O

Functional groups:
O=C1C=CC(=C2ccC=CN2)C=C1, cO, cOC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1C=CC(=C2NC=Cc3ccccc32)C=C1

Scaffold Graph/Node level:
OC1CCC(C2NCCC3CCCCC32)CC1

Scaffold Graph level:
CC1CCC(C2CCCC3CCCCC32)CC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Isoquinolines and derivatives

NP Classifier Biosynthetic pathway: Alkaloids

NP-Likeness score: 1.494

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Chemical structure download