Summary

IMPPAT Phytochemical identifier: IMPHY012339

Phytochemical name: Artemisinin B

Synonymous chemical names:
artemisinin b

External chemical identifiers:
CID:126891

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Chemical structure information

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

InChI:
InChI=1S/C15H22O4/c1-8-4-7-12(10(3)14(17)18)15(19)11(8)6-5-9(2)13(15)16/h5,8,11-13,16,19H,3-4,6-7H2,1-2H3,(H,17,18)/t8-,11+,12+,13-,15-/m1/s1

InChIKey:
PVBSTLWHHZPUSK-JDRMZHCHSA-N

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

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CCC2CCCCC2C1

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: Arteminisin

NP-Likeness score: 2.479

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Chemical structure download