Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID007089

Phytochemical name: Presilphiperfol-7-ene

Synonymous chemical names:
presilphiperfol-7-ene, Presilphiperfol-7-ene

External chemical identifiers:
CID:CID_91746704

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Chemical structure information

SMILES:
C[C@@H]1CCC2=C3C1CC[C@@]3(C)CC2(C)C

InChI:
InChI=1S/C15H24/c1-10-5-6-12-13-11(10)7-8-15(13,4)9-14(12,2)3/h10-11H,5-9H2,1-4H3/t10-,11?,15+/m1/s1

InChIKey:
PLHQUFSAXMJRAY-JRDMHLJOSA-N

DeepSMILES:
C[C@@H]CCC=CC6CC[C@@]5C)CC8C)C

Functional groups:
CC(=C(C)C)C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CC2=C3C(C1)CCC3CC2

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: 2.119

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Chemical structure download