Summary

IMPPAT Phytochemical identifier: IMPHY001057

Phytochemical name: (-)-Argemonine

Synonymous chemical names:
argemonine

External chemical identifiers:
CID:442168, ChEBI:80, ZINC:ZINC000026771533

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Chemical structure information

SMILES:
COc1cc2c(cc1OC)C[C@@H]1N([C@H]2Cc2c1cc(c(c2)OC)OC)C

InChI:
InChI=1S/C21H25NO4/c1-22-16-6-12-8-18(23-2)20(25-4)10-14(12)17(22)7-13-9-19(24-3)21(26-5)11-15(13)16/h8-11,16-17H,6-7H2,1-5H3/t16-,17-/m0/s1

InChIKey:
QEOWCPFWLCIQSL-IRXDYDNUSA-N

DeepSMILES:
COcccccc6OC))))C[C@@H]N[C@H]6Ccc6cccc6)OC)))OC))))))))C

Functional groups:
CN(C)C, 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: 0.611

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Chemical structure download