Summary

IMPPAT Phytochemical identifier: IMPHY000495

Phytochemical name: N-8-norphysostigmine

Synonymous chemical names:
n-8-norphysostigmine

Chemical structure information

SMILES:
CN=C(Oc1ccc2c(c1)[C@]1(C)CCNC1N2C)O

InChI:
InChI=1S/C14H19N3O2/c1-14-6-7-16-12(14)17(3)11-5-4-9(8-10(11)14)19-13(18)15-2/h4-5,8,12,16H,6-7H2,1-3H3,(H,15,18)/t12?,14-/m0/s1

InChIKey:
DWMBEPKCENULIA-PYMCNQPYSA-N

DeepSMILES:
CN=COcccccc6)[C@]C)CCNC5N8C)))))))))))))O

Functional groups:
cN(C)C(C)NC, cOC(O)=NC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc2c(c1)NC1NCCC21

Scaffold Graph/Node level:
C1CCC2C(C1)NC1NCCC12

Scaffold Graph level:
C1CCC2C(C1)CC1CCCC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Indoles and derivatives

ClassyFire Subclass: Pyrroloindoles

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tryptophan alkaloids

NP Classifier Class: Pyrroloindole alkaloids

NP-Likeness score: 0.953

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Chemical structure download