Summary

IMPPAT Phytochemical identifier: IMPHY013538

Phytochemical name: 4,10-Dihydroxy-2-oxo-1(5)-guaien-12,6-olide

Synonymous chemical names:
artabsinolide a

External chemical identifiers:
CID:74039602

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Chemical structure information

SMILES:
CC1C(=O)OC2C1CCC(C1=C2C(C)(O)CC1=O)(C)O

InChI:
InChI=1S/C15H20O5/c1-7-8-4-5-14(2,18)10-9(16)6-15(3,19)11(10)12(8)20-13(7)17/h7-8,12,18-19H,4-6H2,1-3H3

InChIKey:
ZSOYDVICJGNUTP-UHFFFAOYSA-N

DeepSMILES:
CCC=O)OCC5CCCC=C7CC)O)CC5=O))))))C)O

Functional groups:
CC1=C(C)C(=O)CC1, CO, COC(C)=O

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CC2CCCC3=C(CCC3=O)C2O1

Scaffold Graph/Node level:
OC1CC2CCCC3C(O)CCC3C2O1

Scaffold Graph level:
CC1CC2CCCC3C(C)CCC3C2C1

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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: Guaiane sesquiterpenoids

NP-Likeness score: 2.751

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Chemical structure download