Summary

IMPPAT Phytochemical identifier: IMPHY016597

Phytochemical name: Cycloisolongifolene

Synonymous chemical names:
cycloisolongifolene, cycloisolongifolene (dihydro-), cycloisosativene

External chemical identifiers:
CID:563197

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Chemical structure information

SMILES:
CC1(C)CCCC23C41CC(CC24)C3(C)C

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

InChIKey:
VRSGYUIZSVSWIY-UHFFFAOYSA-N

DeepSMILES:
CCC)CCCCC6CCCC65))C5C)C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCC23CC4CC2C3(C1)C4

Scaffold Graph/Node level:
C1CCC23CC4CC2C3(C1)C4

Scaffold Graph level:
C1CCC23CC4CC2C3(C1)C4

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Monoterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP Classifier Class: Thujopsane sesquiterpenoids

NP-Likeness score: 2.387

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Chemical structure download