Summary

IMPPAT Phytochemical identifier: IMPHY012448

Phytochemical name: Lambertine hydroxide

Synonymous chemical names:
lambertine hydroxide

External chemical identifiers:
CID:189668

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Chemical structure information

SMILES:
COc1c(OC)ccc2c1C[N+]1=C(C2)c2c(CC1)cc1c(c2)OCO1.[OH-]

InChI:
InChI=1S/C20H20NO4.H2O/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2;/h3-4,8-9H,5-7,10-11H2,1-2H3;1H2/q+1;/p-1

InChIKey:
WXKFWDFORAXLOD-UHFFFAOYSA-M

DeepSMILES:
COccOC))cccc6C[N+]=CC6)ccCC6))cccc6)OCO5.[OH-]

Functional groups:
[OH-], c1cOCO1, cC(C)=[N+](C)C, cOC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc2c(c1)CC1=[N+](CCc3cc4c(cc31)OCO4)C2

Scaffold Graph/Node level:
C1CCC2CN3CCC4CC5OCOC5CC4C3CC2C1

Scaffold Graph level:
C1CCC2CC3C(CCC4CC5CCCC5CC43)CC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Alkaloids and derivatives

ClassyFire Class: Protoberberine alkaloids and derivatives

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tyrosine alkaloids

NP Classifier Class: Protoberberine alkaloids, Isoquinoline alkaloids

NP-Likeness score: 0.877

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Chemical structure download