Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID013033

Phytochemical name: Norarmepavine

Synonymous chemical names:
n-norarmepavine

External chemical identifiers:
CID:CID_317405, ChEMBL:CHEMBL510363, SureChEMBL:SCHEMBL13184886

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Chemical structure information

SMILES:
COc1cc2C(NCCc2cc1OC)Cc1ccc(cc1)O

InChI:
InChI=1S/C18H21NO3/c1-21-17-10-13-7-8-19-16(15(13)11-18(17)22-2)9-12-3-5-14(20)6-4-12/h3-6,10-11,16,19-20H,7-9H2,1-2H3

InChIKey:
NKBBUUNAVOMVER-UHFFFAOYSA-N

DeepSMILES:
COcccCNCCc6cc%10OC))))))))Ccccccc6))O

Functional groups:
cOC, cO, CNC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc(CC2NCCc3ccccc32)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: 1.046

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Chemical structure download