Summary

IMPPAT Phytochemical identifier: IMPHY007680

Phytochemical name: Bisnorargemonine

Synonymous chemical names:
bisnorargemonine

External chemical identifiers:
CID:12300156, ChEMBL:CHEMBL1494954

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Chemical structure information

SMILES:
COc1cc2c(cc1O)C[C@@H]1N([C@H]2Cc2c1cc(c(c2)OC)O)C

InChI:
InChI=1S/C19H21NO4/c1-20-14-4-10-6-16(21)19(24-3)9-13(10)15(20)5-11-7-18(23-2)17(22)8-12(11)14/h6-9,14-15,21-22H,4-5H2,1-3H3/t14-,15-/m0/s1

InChIKey:
JLYWCHLTLCGOMW-GJZGRUSLSA-N

DeepSMILES:
COcccccc6O)))C[C@@H]N[C@H]6Ccc6cccc6)OC)))O)))))))C

Functional groups:
CN(C)C, cO, cOC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc2c(c1)CC1NC2Cc2ccccc21

Scaffold Graph/Node level:
C1CCC2C(C1)CC1NC2CC2CCCCC21

Scaffold Graph level:
C1CCC2C(C1)CC1CC2CC2CCCCC21

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Alkaloids and derivatives

ClassyFire Class: Pavine alkaloids

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tyrosine alkaloids

NP Classifier Class: Isoquinoline alkaloids

NP-Likeness score: 1.102

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Chemical structure download