Summary

IMPPAT Phytochemical identifier: IMPHY008013

Phytochemical name: Huperzine A

Synonymous chemical names:
huperzine a, selagine

External chemical identifiers:
CID:854026, ChEMBL:CHEMBL395280, ChEBI:78330, ZINC:ZINC000009411213, FDASRS:0111871I23, SureChEMBL:SCHEMBL16789797, MolPort-035-394-938

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Chemical structure information

SMILES:
C/C=C/1[C@H]2C=C(C[C@]1(N)c1c(C2)[nH]c(=O)cc1)C

InChI:
InChI=1S/C15H18N2O/c1-3-11-10-6-9(2)8-15(11,16)12-4-5-14(18)17-13(12)7-10/h3-6,10H,7-8,16H2,1-2H3,(H,17,18)/b11-3+/t10-,15+/m0/s1

InChIKey:
ZRJBHWIHUMBLCN-YQEJDHNASA-N

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

Functional groups:
C/C=C(/C)C, CC(C)=CC, CN, 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: 2.321

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Chemical structure download