Summary

IMPPAT Phytochemical identifier: IMPHY014904

Phytochemical name: Deltamine 6-acetate

Synonymous chemical names:
eldeline

External chemical identifiers:
CID:165537

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Chemical structure information

SMILES:
COC1CC23OCOC43C(OC(=O)C)C3C5(C6(CC1C(C26)OC)O)C4N(CC)CC3(C)CCC5OC

InChI:
InChI=1S/C27H41NO8/c1-7-28-12-23(3)9-8-17(32-5)26-20(23)21(36-14(2)29)27(22(26)28)25(34-13-35-27)11-16(31-4)15-10-24(26,30)19(25)18(15)33-6/h15-22,30H,7-13H2,1-6H3

InChIKey:
DTTPWCNKTMQMTE-UHFFFAOYSA-N

DeepSMILES:
COCCCOCOC5COC=O)C)))CCCCC%13CC%135)OC)))))O))C5NCC))CC6C)CCC8OC

Functional groups:
C1COCO1, CN(C)C, CO, COC, COC(C)=O

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CC2CNC3C4(C1)C2CC31OCOC12CCC1CC4C2C1

Scaffold Graph/Node level:
C1CC2CNC3C4(C1)C2CC31OCOC12CCC1CC4C2C1

Scaffold Graph level:
C1CC2CCC3C4(C1)C2CC31CCCC12CCC1CC4C2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Diterpenoids

NP Classifier Biosynthetic pathway: Alkaloids, Terpenoids

NP Classifier Superclass: Pseudoalkaloids

NP Classifier Class: Terpenoid alkaloids

NP-Likeness score: 3.26

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Chemical structure download