Summary

IMPPAT Phytochemical identifier: IMPHY008969

Phytochemical name: Epoxyarteannuinic acid

Synonymous chemical names:
epoxyarteannuinic acid

Chemical structure information

SMILES:
CC1CCC(C2C1CCC1(C2O1)C)C(=C)C(=O)O

InChI:
InChI=1S/C15H22O3/c1-8-4-5-11(9(2)14(16)17)12-10(8)6-7-15(3)13(12)18-15/h8,10-13H,2,4-7H2,1,3H3,(H,16,17)

InChIKey:
CQNNGKUJKJXDCO-UHFFFAOYSA-N

DeepSMILES:
CCCCCCC6CCCC6O3))C))))))C=C)C=O)O

Functional groups:
C=C(C)C(=O)O, CC1OC1(C)C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCC2C(C1)CCC1OC12

Scaffold Graph/Node level:
C1CCC2C(C1)CCC1OC12

Scaffold Graph level:
C1CCC2C(C1)CCC1CC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Sesquiterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP Classifier Class: Arteminisin

NP-Likeness score: 3.175

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Chemical structure download