Summary

IMPPAT Phytochemical identifier: IMPHY009734

Phytochemical name: Dihydroartemisinic acid

Synonymous chemical names:
dihydroartemisinic acid

External chemical identifiers:
CID:11020893, ChEBI:144078, ZINC:ZINC000034546884, SureChEMBL:SCHEMBL1446617, MolPort-038-941-702

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Chemical structure information

SMILES:
OC(=O)[C@@H]([C@@H]1CC[C@H]([C@H]2[C@@H]1C=C(C)CC2)C)C

InChI:
InChI=1S/C15H24O2/c1-9-4-6-12-10(2)5-7-13(14(12)8-9)11(3)15(16)17/h8,10-14H,4-7H2,1-3H3,(H,16,17)/t10-,11-,12+,13+,14+/m1/s1

InChIKey:
JYGAZEJXUVDYHI-DGTMBMJNSA-N

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

Functional groups:
CC(=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: Arteminisin, Cadinane sesquiterpenoids

NP-Likeness score: 2.414

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Chemical structure download