Summary

IMPPAT Phytochemical identifier: IMPHY010754

Phytochemical name: Qinghaosu IV

Synonymous chemical names:
qinghaosu iv

Chemical structure information

SMILES:
O=C1OC2OC3(OC42C(C1C)CCC(C4CC3O)C)C

InChI:
InChI=1S/C15H22O5/c1-7-4-5-9-8(2)12(17)18-13-15(9)10(7)6-11(16)14(3,19-13)20-15/h7-11,13,16H,4-6H2,1-3H3

InChIKey:
NTBCVGIABGYJEM-UHFFFAOYSA-N

DeepSMILES:
O=COCOCOC5CC9C))CCCC6CC%10O))))C)))))))C

Functional groups:
CC(=O)OC1COC(C)(C)O1, CO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CC2CCCC3CCC4OC(O1)C32O4

Scaffold Graph/Node level:
OC1CC2CCCC3CCC4OC(O1)C32O4

Scaffold Graph level:
CC1CC2CCCC3CCC4CC(C1)C32C4

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Dioxolopyrans

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP Classifier Class: Arteminisin

NP-Likeness score: 3.433

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Chemical structure download