Summary

IMPPAT Phytochemical identifier: IMPHY009899

Phytochemical name: Fuziline

Synonymous chemical names:
senbusine c

External chemical identifiers:
CID:157773

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Chemical structure information

SMILES:
COC[C@]12CCC(C34[C@@H]2C(OC)C(C3N(C1)CC)[C@@]1([C@@H]2[C@H]4CC([C@@H]2O)[C@H]([C@@H]1O)OC)O)O

InChI:
InChI=1S/C24H39NO7/c1-5-25-9-22(10-30-2)7-6-13(26)23-12-8-11-16(27)14(12)24(29,21(28)17(11)31-3)15(20(23)25)18(32-4)19(22)23/h11-21,26-29H,5-10H2,1-4H3/t11?,12-,13?,14-,15?,16+,17-,18?,19-,20?,21+,22+,23?,24-/m1/s1

InChIKey:
FPECZWKKKKZPPP-YEPNDZOOSA-N

DeepSMILES:
COC[C@@]CCCC[C@@H]6COC))CC5NC%11)CC))))[C@@][C@@H][C@H]7CC[C@@H]5O))[C@H][C@@H]7O))OC)))))))O))))))O

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CC2CNC3C4CC2C3(C1)C1CC2CCC4C1C2

Scaffold Graph/Node level:
C1CC2CNC3C4CC2C3(C1)C1CC2CCC4C1C2

Scaffold Graph level:
C1CC2CCC3C4CC2C3(C1)C1CC2CCC4C1C2

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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: 3.44

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Chemical structure download