Summary

IMPPAT Phytochemical identifier: IMPHY014507

Phytochemical name: Silphiperfolan-7beta-ol

Synonymous chemical names:
silphiperfolan-7-β-ol

External chemical identifiers:
CID:91747322

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Chemical structure information

SMILES:
C[C@H]1CCC23C1CC[C@]2(C)C[C@H]([C@@]3(C)O)C

InChI:
InChI=1S/C15H26O/c1-10-5-8-15-12(10)6-7-13(15,3)9-11(2)14(15,4)16/h10-12,16H,5-9H2,1-4H3/t10-,11+,12?,13+,14+,15?/m0/s1

InChIKey:
PEXFPFKCJPWRDJ-ILBOPJSBSA-N

DeepSMILES:
C[C@H]CCCC5CC[C@]5C)C[C@H][C@@]8C)O))C

Functional groups:
CO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CC2CCC3CCCC23C1

Scaffold Graph/Node level:
C1CC2CCC3CCCC23C1

Scaffold Graph level:
C1CC2CCC3CCCC23C1

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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: 3.036

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Chemical structure download