Summary

IMPPAT Phytochemical identifier: IMPHY014449

Phytochemical name: N,N,-Dimethylhuperzine A

Synonymous chemical names:
n,n-dimethylhuperzine a

External chemical identifiers:
CID:58451233, SureChEMBL:SCHEMBL12254051

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Chemical structure information

SMILES:
C/C=C/1C2C=C(CC1(N(C)C)c1c(C2)[nH]c(=O)cc1)C

InChI:
InChI=1S/C17H22N2O/c1-5-13-12-8-11(2)10-17(13,19(3)4)14-6-7-16(20)18-15(14)9-12/h5-8,12H,9-10H2,1-4H3,(H,18,20)/b13-5+

InChIKey:
VSGZZLBLFBLCOE-WLRTZDKTSA-N

DeepSMILES:
C/C=CCC=CCC6NC)C))ccC8)[nH]c=O)cc6))))))))C

Functional groups:
C/C=C(/C)C, CC=C(C)C, CN(C)C, c=O, c[nH]c

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1C2C=CCC1c1ccc(=O)[nH]c1C2

Scaffold Graph/Node level:
CC1C2CCCC1C1CCC(O)NC1C2

Scaffold Graph level:
CC1CCC2C(C1)CC1CCCC2C1C

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Quinolines and derivatives

ClassyFire Subclass: Quinolones and derivatives

NP Classifier Biosynthetic pathway: Alkaloids, Terpenoids

NP Classifier Superclass: Pseudoalkaloids

NP Classifier Class: Terpenoid alkaloids

NP-Likeness score: 1.31

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Chemical structure download