Summary

IMPPAT Phytochemical identifier: IMPHY005729

Phytochemical name: Huperzinine

Synonymous chemical names:
huperzinine

External chemical identifiers:
CID:195296, ChEMBL:CHEMBL470349

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Chemical structure information

SMILES:
C=C[C@@H]1[C@H]2C=C(C[C@]1(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/h5-8,12-13H,1,9-10H2,2-4H3,(H,18,20)/t12-,13+,17+/m0/s1

InChIKey:
GDGWMBXSNPMXBY-OGHNNQOOSA-N

DeepSMILES:
C=C[C@@H][C@H]C=CC[C@]6NC)C))ccC8)[nH]c=O)cc6))))))))C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1ccc2c([nH]1)CC1C=CCC2C1

Scaffold Graph/Node level:
OC1CCC2C3CCCC(C3)CC2N1

Scaffold Graph level:
CC1CCC2C3CCCC(C3)CC2C1

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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: 1.899

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Chemical structure download