Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID017363

Phytochemical name: Yuzirin

Synonymous chemical names:
yuzirin, Yuzirin

External chemical identifiers:
CID:CID_3085285, FDASRS:HYS6BR39QH

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Chemical structure information

SMILES:
COc1cc2ccnc(c2cc1O)Cc1ccc(cc1)O

InChI:
InChI=1S/C17H15NO3/c1-21-17-9-12-6-7-18-15(14(12)10-16(17)20)8-11-2-4-13(19)5-3-11/h2-7,9-10,19-20H,8H2,1H3

InChIKey:
XUCRLUHFLBPVRO-UHFFFAOYSA-N

DeepSMILES:
COcccccncc6cc%10O))))Ccccccc6))O

Functional groups:
cOC, cO, cnc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc(Cc2nccc3ccccc23)cc1

Scaffold Graph/Node level:
C1CCC(CC2NCCC3CCCCC32)CC1

Scaffold Graph level:
C1CCC(CC2CCCC3CCCCC32)CC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Isoquinolines and derivatives

ClassyFire Subclass: Benzylisoquinolines

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tyrosine alkaloids

NP Classifier Class: Isoquinoline alkaloids, Tetrahydroisoquinoline alkaloids

NP-Likeness score: 0.623

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Chemical structure download