Summary

IMPPAT Phytochemical identifier: IMPHY010705

Phytochemical name: Dukunolide D

Synonymous chemical names:
dukunolide d

Chemical structure information

SMILES:
O=C1CC2C(O1)(C)C1(O)C3=C4C(=CCCC4(C(OC3=O)c3cocc3)C)CC1(C(=O)C2(C)C)O

InChI:
InChI=1S/C26H28O8/c1-22(2)15-10-16(27)34-24(15,4)26(31)18-17-13(11-25(26,30)21(22)29)6-5-8-23(17,3)19(33-20(18)28)14-7-9-32-12-14/h6-7,9,12,15,19,30-31H,5,8,10-11H2,1-4H3

InChIKey:
WUQGZJQZKDLECQ-UHFFFAOYSA-N

DeepSMILES:
O=CCCCO5)C)CO)C=CC=CCCC6COC%10=O)))ccocc5))))))C)))))CC6C=O)C%10C)C)))O

Functional groups:
CC(C)=O, CC=C(C)C1=C(C)C(=O)OCC1, CO, COC(C)=O, coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CC2CC(=O)C3CC4=CCCC5C4=C(C(=O)OC5c4ccoc4)C3C2O1

Scaffold Graph/Node level:
OC1CC2CC(O)C3CC4CCCC5C(C6CCOC6)OC(O)C(C45)C3C2O1

Scaffold Graph level:
CC1CC2CC(C)C3CC4CCCC5C(C6CCCC6)CC(C)C(C45)C3C2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Naphthopyrans

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Triterpenoids

NP Classifier Class: Limonoids

NP-Likeness score: 2.261

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Chemical structure download