Summary

IMPPAT Phytochemical identifier: IMPHY000480

Phytochemical name: Acetylamarolide

Synonymous chemical names:
acetylamarolide

Chemical structure information

SMILES:
CC(=O)OC1C(=O)C(C)C2C3(C1C1(C)C(CC3OC(=O)C2)C(C)CC(C1=O)O)C

InChI:
InChI=1S/C22H30O7/c1-9-6-14(24)20(27)22(5)12(9)7-15-21(4)13(8-16(25)29-15)10(2)17(26)18(19(21)22)28-11(3)23/h9-10,12-15,18-19,24H,6-8H2,1-5H3

InChIKey:
HTUPNZUADSZJNJ-UHFFFAOYSA-N

DeepSMILES:
CC=O)OCC=O)CC)CCC6CC)CCC6OC=O)C%10)))))CC)CCC6=O))O)))))))C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CC2CC(=O)OC3CC4CCCC(=O)C4C(C1)C23

Scaffold Graph/Node level:
OC1CC2CC(O)OC3CC4CCCC(O)C4C(C1)C23

Scaffold Graph level:
CC1CC2CC(C)CC3C4C(C)CCCC4CC(C1)C23

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Terpene lactones

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Triterpenoids

NP Classifier Class: Quassinoids

NP-Likeness score: 3.168

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Chemical structure download