Summary

IMPPAT Phytochemical identifier: IMPHY009767

Phytochemical name: Silphiperfol-6-en-5-one

Synonymous chemical names:
silphiperfol-6-en-5-one

External chemical identifiers:
CID:91750907

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Chemical structure information

SMILES:
C[C@H]1CCC23C1CC[C@]3(C)C(=O)C(=C2C)C

InChI:
InChI=1S/C15H22O/c1-9-5-8-15-11(3)10(2)13(16)14(15,4)7-6-12(9)15/h9,12H,5-8H2,1-4H3/t9-,12?,14+,15?/m0/s1

InChIKey:
WRSMTJOLBOXBOD-DIWHYENTSA-N

DeepSMILES:
C[C@H]CCCC5CC[C@]5C)C=O)C=C8C))C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1C=CC23CCCC2CCC13

Scaffold Graph/Node level:
OC1CCC23CCCC2CCC13

Scaffold Graph level:
CC1CCC23CCCC2CCC13

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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: 2.033

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Chemical structure download