Summary
SMILES: COc1cc2C=CN/C(=C/3C=CC(=O)C=C3)/c2cc1OInChI: 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,1H3InChIKey: QFUGBCWAFNXHEU-UHFFFAOYSA-N
DeepSMILES: COcccC=CN/C=CC=CC=O)C=C6))))))/c6cc%10O
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
Functional groups: O=C1C=CC(=C2ccC=CN2)C=C1; cO; cOC
Chemical classification
ClassyFire Kingdom: Organic compounds
ClassyFire Superclass: Organoheterocyclic compoundsClassyFire Class: Isoquinolines and derivatives
NP Classifier Biosynthetic pathway: Alkaloids
Synonymous chemical names:yuzirin
External chemical identifiers:CID:85867758
Chemical structure download