Summary

IMPPAT Phytochemical identifier: IMPHY001137

Phytochemical name: Lahorine

Synonymous chemical names:
lahoramine, lahorine

External chemical identifiers:
CID:102267534, ZINC:ZINC000085994966

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Chemical structure information

SMILES:
C[n+]1ccc2c(c3-c1c1c(c3)ccc3c1OCO3)cc1c(c2)OCO1

InChI:
InChI=1S/C20H14NO4/c1-21-5-4-11-7-16-17(24-9-23-16)8-13(11)14-6-12-2-3-15-20(25-10-22-15)18(12)19(14)21/h2-8H,9-10H2,1H3/q+1

InChIKey:
UYUSJSLJASWNQK-UHFFFAOYSA-N

DeepSMILES:
C[n+]ccccc-c7ccc5)cccc6OCO5)))))))))))cccc6)OCO5

Functional groups:
c1cOCO1, c[n+](c)C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1cc2cc3c(cc2c2cc4ccc5c(c4c-2[nH+]1)OCO5)OCO3

Scaffold Graph/Node level:
C1CC2CC3OCOC3CC2C2CC3CCC4OCOC4C3C2N1

Scaffold Graph level:
C1CC2CC3CCCC4C(CC5CCC6CCCC6C54)C3CC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Benzazepines

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tyrosine alkaloids

NP Classifier Class: Isoquinoline alkaloids

NP-Likeness score: 0.793

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Chemical structure download