Summary

IMPPAT Phytochemical identifier: IMPHY002696

Phytochemical name: Litseferine

Synonymous chemical names:
litseferine

External chemical identifiers:
CID:13891936, ZINC:ZINC000013451327

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Chemical structure information

SMILES:
COc1cc2C[C@@H]3NCCc4c3c(-c2cc1O)c1OCOc1c4

InChI:
InChI=1S/C18H17NO4/c1-21-14-6-10-4-12-16-9(2-3-19-12)5-15-18(23-8-22-15)17(16)11(10)7-13(14)20/h5-7,12,19-20H,2-4,8H2,1H3/t12-/m0/s1

InChIKey:
NWCGFAYLTGJNLQ-LBPRGKRZSA-N

DeepSMILES:
COcccC[C@@H]NCCcc6c-c%10cc%14O))))cOCOc5c9

Functional groups:
CNC, c1cOCO1, cO, cOC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc2c(c1)CC1NCCc3cc4c(c-2c31)OCO4

Scaffold Graph/Node level:
C1CCC2C(C1)CC1NCCC3CC4OCOC4C2C31

Scaffold Graph level:
C1CCC2C(C1)CC1CCCC3CC4CCCC4C2C13

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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, Isoquinoline alkaloids

NP-Likeness score: 2.114

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Chemical structure download