Summary

IMPPAT Phytochemical identifier: IMPHY013719

Phytochemical name: Antidysentericine

Synonymous chemical names:
antidysentericine

External chemical identifiers:
CID:132918182

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Chemical structure information

SMILES:
CN([C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]24[C@H]3CC[C@@H]4C(NC2=O)C)C1)C)C

InChI:
InChI=1S/C23H36N2O/c1-14-18-7-8-20-17-6-5-15-13-16(25(3)4)9-11-22(15,2)19(17)10-12-23(18,20)21(26)24-14/h5,14,16-20H,6-13H2,1-4H3,(H,24,26)/t14?,16-,17+,18+,19-,20-,22-,23-/m0/s1

InChIKey:
BEERHVKGSHXGPX-OXFPABETSA-N

DeepSMILES:
CN[C@H]CC[C@]C=CC[C@@H][C@@H]6CC[C@@][C@H]6CC[C@@H]5CNC8=O)))C)))))))))))))C6))C)))))C

Functional groups:
CC=C(C)C, CN(C)C, CNC(C)=O

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1NCC2CCC3C4CC=C5CCCCC5C4CCC123

Scaffold Graph/Node level:
OC1NCC2CCC3C4CCC5CCCCC5C4CCC213

Scaffold Graph level:
CC1CCC2CCC3C4CCC5CCCCC5C4CCC123

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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: Hydroxysteroids

NP Classifier Biosynthetic pathway: Alkaloids, Terpenoids

NP Classifier Superclass: Pseudoalkaloids

NP Classifier Class: Steroidal alkaloids

NP-Likeness score: 2.196

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Chemical structure download