Summary

IMPPAT Phytochemical identifier: IMPHY003507

Phytochemical name: Elaeodendroside A

Synonymous chemical names:
elaeodendroside a

External chemical identifiers:
CID:321250

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Chemical structure information

SMILES:
O=C1OCC(=C1)C1CCC2(C1(C)C(=O)C(O)C1C2CCC2=CC3C(CC12C)OC12OCOC1CCOC2O3)O

InChI:
InChI=1S/C29H36O10/c1-26-11-19-18(38-25-29(39-19)20(6-8-34-25)36-13-37-29)10-15(26)3-4-17-22(26)23(31)24(32)27(2)16(5-7-28(17,27)33)14-9-21(30)35-12-14/h9-10,16-20,22-23,25,31,33H,3-8,11-13H2,1-2H3

InChIKey:
FFADSNLFGAQRCS-UHFFFAOYSA-N

DeepSMILES:
O=COCC=C5)CCCCC5C)C=O)CO)CC6CCC=CCCCC%106C)))OCOCOC5CCOC9O%13))))))))))))))))))))))O

Functional groups:
CC(C)=O, CC1=CC(=O)OC1, CC=C(C)C, CO, COC1OCCOC12COCO2

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1C=C(C2CCC3C4CCC5=CC6OC7OCCC8OCOC87OC6CC5C4CC(=O)C23)CO1

Scaffold Graph/Node level:
OC1CC(C2CCC3C4CCC5CC6OC7OCCC8OCOC87OC6CC5C4CC(O)C23)CO1

Scaffold Graph level:
CC1CCC(C2CCC3C4CCC5CC6CC7CCCC8CCCC87CC6CC5C4CC(C)C23)C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Steroids and steroid derivatives

ClassyFire Subclass: Steroid lactones

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Steroids

NP Classifier Class: Cardenolides

NP-Likeness score: 3.2

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Chemical structure download