Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID003872

Phytochemical name: Silphiperfol-6-en-3,5-dione

Synonymous chemical names:
silphiperfol-6-en-3,5-dione

External chemical identifiers:
CID:CID_91747335

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Chemical structure information

SMILES:
C[C@H]1CC[C@]23[C@@H]1CC(=O)[C@]3(C)C(=O)C(=C2C)C

InChI:
InChI=1S/C15H20O2/c1-8-5-6-15-10(3)9(2)13(17)14(15,4)12(16)7-11(8)15/h8,11H,5-7H2,1-4H3/t8-,11+,14+,15+/m0/s1

InChIKey:
LUEUBVVPFGOSDR-UYJAGUKBSA-N

DeepSMILES:
C[C@H]CC[C@@][C@@H]5CC=O)[C@]5C)C=O)C=C8C))C

Functional groups:
CC(=O)C, CC1=C(C)C(=O)CC1

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1C=CC23CCCC2CC(=O)C13

Scaffold Graph/Node level:
OC1CCC23CCCC2CC(O)C13

Scaffold Graph level:
CC1CCC23CCCC2CC(C)C13

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Sesquiterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP Classifier Class: Silphiperfolane sesquiterpenoids

NP-Likeness score: 2.211

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Chemical structure download