Summary

IMPPAT Phytochemical identifier: IMPHY008886

Phytochemical name: Delpheline

Synonymous chemical names:
delpheline

Chemical structure information

SMILES:
COC1CC23OCOC43C(O)C3C5(C6CC1C(C26)OC)C4N(CC)CC3(C)CCC5OC

InChI:
InChI=1S/C25H39NO6/c1-6-26-11-22(2)8-7-16(29-4)24-14-9-13-15(28-3)10-23(17(14)18(13)30-5)25(21(24)26,32-12-31-23)20(27)19(22)24/h13-21,27H,6-12H2,1-5H3

InChIKey:
QZRLLIOCIZLBGL-UHFFFAOYSA-N

DeepSMILES:
COCCCOCOC5CO)CCCCC%13CC%135)OC))))))C5NCC))CC6C)CCC8OC

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

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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: 3.616

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Chemical structure download