Summary

IMPPAT Phytochemical identifier: IMPHY009416

Phytochemical name: Sparsiflorine

Synonymous chemical names:
sparsiflorine

External chemical identifiers:
CID:12442918, FDASRS:53EWB5GJ52

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Chemical structure information

SMILES:
COc1cc2CCN[C@@H]3c2c(-c2cc(O)ccc2C3)c1O

InChI:
InChI=1S/C17H17NO3/c1-21-14-7-10-4-5-18-13-6-9-2-3-11(19)8-12(9)16(15(10)13)17(14)20/h2-3,7-8,13,18-20H,4-6H2,1H3/t13-/m0/s1

InChIKey:
LTCVKUADFIKXMF-ZDUSSCGKSA-N

DeepSMILES:
COcccCCN[C@@H]c6c-cccO)ccc6C%10)))))))c%10O

Functional groups:
CNC, cO, cOC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc2c(c1)CC1NCCc3cccc-2c31

Scaffold Graph/Node level:
C1CCC2C(C1)CC1NCCC3CCCC2C31

Scaffold Graph level:
C1CCC2C(C1)CC1CCCC3CCCC2C31

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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: 1.994

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Chemical structure download