Summary

IMPPAT Phytochemical identifier: IMPHY001859

Phytochemical name: Dehydrotylophorine

Synonymous chemical names:
dehydrotylophorine, phenanthroindolizidine

External chemical identifiers:
CID:11583623, ZINC:ZINC000013360263, SureChEMBL:SCHEMBL13222742

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Chemical structure information

SMILES:
COc1cc2c(cc1OC)c1cc(OC)c(cc1c1c2cc2CCC[n+]2c1)OC

InChI:
InChI=1S/C24H24NO4/c1-26-21-9-16-15-8-14-6-5-7-25(14)13-20(15)19-12-24(29-4)23(28-3)11-18(19)17(16)10-22(21)27-2/h8-13H,5-7H2,1-4H3/q+1

InChIKey:
LJKFGEXLZSHJSE-UHFFFAOYSA-N

DeepSMILES:
COcccccc6OC))))cccOC))ccc6cc%10ccCCC[n+]5c9)))))))))))OC

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc2c(c1)c1ccccc1c1c[n+]3c(cc21)CCC3

Scaffold Graph/Node level:
C1CCC2C(C1)C1CCCCC1C1CN3CCCC3CC21

Scaffold Graph level:
C1CC2CC3C4CCCCC4C4CCCCC4C3CC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Phenanthrenes and derivatives

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tyrosine alkaloids

NP Classifier Class: Aporphine alkaloids

NP-Likeness score: 0.705

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Chemical structure download