Summary

IMPPAT Phytochemical identifier: IMPHY009710

Phytochemical name: Presilphiperfolan-8-ol

Synonymous chemical names:
presilphiperfolan-8-ol

External chemical identifiers:
CID:91747319

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Chemical structure information

SMILES:
C[C@@H]1CCC2[C@@]3(C1CC[C@@]3(C)CC2(C)C)O

InChI:
InChI=1S/C15H26O/c1-10-5-6-12-13(2,3)9-14(4)8-7-11(10)15(12,14)16/h10-12,16H,5-9H2,1-4H3/t10-,11?,12?,14+,15-/m1/s1

InChIKey:
ZCRYDCBITZERMT-AEMIBAHXSA-N

DeepSMILES:
C[C@@H]CCC[C@@]C6CC[C@@]5C)CC8C)C)))))))O

Functional groups:
CO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CC2CCC3CCC(C1)C23

Scaffold Graph/Node level:
C1CC2CCC3CCC(C1)C23

Scaffold Graph level:
C1CC2CCC3CCC(C1)C23

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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: Presilphiperfolane and Probotryane sesquiterpenoids

NP-Likeness score: 3.017

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Chemical structure download