Summary

IMPPAT Phytochemical identifier: IMPHY013028

Phytochemical name: Artemisinic acid

Synonymous chemical names:
artemisic acid, artemisinic acid, qinghao acid (artemisic acid)

External chemical identifiers:
CID:10922465, ChEMBL:CHEMBL457385, ChEBI:63749, ZINC:ZINC000034564537, FDASRS:53N99527G7, SureChEMBL:SCHEMBL159983, MolPort-023-220-689

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Chemical structure information

SMILES:
CC1=C[C@H]2[C@@H](CC1)[C@H](C)CC[C@H]2C(=C)C(=O)O

InChI:
InChI=1S/C15H22O2/c1-9-4-6-12-10(2)5-7-13(14(12)8-9)11(3)15(16)17/h8,10,12-14H,3-7H2,1-2H3,(H,16,17)/t10-,12+,13+,14+/m1/s1

InChIKey:
PLQMEXSCSAIXGB-SAXRGWBVSA-N

DeepSMILES:
CC=C[C@H][C@@H]CC6))[C@H]C)CC[C@H]6C=C)C=O)O

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CC2CCCCC2CC1

Scaffold Graph/Node level:
C1CCC2CCCCC2C1

Scaffold Graph level:
C1CCC2CCCCC2C1

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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: Cadinane sesquiterpenoids

NP-Likeness score: 2.744

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Chemical structure download