Summary

IMPPAT Phytochemical identifier: IMPHY005172

Phytochemical name: Arteannuin A

Synonymous chemical names:
arteannuin a

External chemical identifiers:
CID:21632759, ZINC:ZINC000096023799

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Chemical structure information

SMILES:
C[C@@H]1CC[C@@H]2[C@@H]3[C@H]1CC=C([C@@H]3OC2=O)C

InChI:
InChI=1S/C13H18O2/c1-7-3-6-10-11-9(7)5-4-8(2)12(11)15-13(10)14/h4,7,9-12H,3,5-6H2,1-2H3/t7-,9+,10-,11+,12+/m1/s1

InChIKey:
VXAMURHMZFPMIP-BGOACCFOSA-N

DeepSMILES:
C[C@@H]CC[C@@H][C@@H][C@H]6CC=C[C@@H]6OC9=O))))C

Functional groups:
CC=C(C)C, COC(C)=O

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1OC2C=CCC3CCCC1C32

Scaffold Graph/Node level:
OC1OC2CCCC3CCCC1C32

Scaffold Graph level:
CC1CC2CCCC3CCCC1C32

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Lactones

ClassyFire Subclass: Gamma butyrolactones

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP Classifier Class: Arteminisin

NP-Likeness score: 2.912

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Chemical structure download