Summary

IMPPAT Phytochemical identifier: IMPHY001571

Phytochemical name: Dehydronantenine

Synonymous chemical names:
dehydronantenine

External chemical identifiers:
CID:151328

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Chemical structure information

SMILES:
COc1c(OC)cc2c3c1c1cc4OCOc4cc1cc3N(CC2)C

InChI:
InChI=1S/C20H19NO4/c1-21-5-4-11-7-17(22-2)20(23-3)19-13-9-16-15(24-10-25-16)8-12(13)6-14(21)18(11)19/h6-9H,4-5,10H2,1-3H3

InChIKey:
WJGFWJOXVNVISL-UHFFFAOYSA-N

DeepSMILES:
COccOC))cccc6cccOCOc5cc9cc%13NCC%17))C

Functional groups:
c1cOCO1, cN(C)C, cOC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1cc2c3c(cc4cc5c(cc4c3c1)OCO5)NCC2

Scaffold Graph/Node level:
C1CC2CCNC3CC4CC5OCOC5CC4C(C1)C23

Scaffold Graph level:
C1CC2CC3CC4CCCC5CCCC(C3CC2C1)C54

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Alkaloids and derivatives

ClassyFire Class: Aporphines

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tyrosine alkaloids

NP Classifier Class: Aporphine alkaloids

NP-Likeness score: 0.914

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Chemical structure download