Summary

IMPPAT Phytochemical identifier: IMPHY004286

Phytochemical name: Longifolene

Synonymous chemical names:
longifolene, longifolene (?), longifolene(?), longifolene†

External chemical identifiers:
CID:289151, ChEBI:6530, SureChEMBL:SCHEMBL106397

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Chemical structure information

SMILES:
C=C1C2CCC3C1(C)CCCC(C23)(C)C

InChI:
InChI=1S/C15H24/c1-10-11-6-7-12-13(11)14(2,3)8-5-9-15(10,12)4/h11-13H,1,5-9H2,2-4H3

InChIKey:
PDSNLYSELAIEBU-UHFFFAOYSA-N

DeepSMILES:
C=CCCCCC6C)CCCCC%107)C)C

Functional groups:
C=C(C)C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1C2CCC3C1CCCCC23

Scaffold Graph/Node level:
CC1C2CCC3C1CCCCC23

Scaffold Graph level:
CC1C2CCC3C1CCCCC23

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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: Longifolane sesquiterpenoids

NP-Likeness score: 3.052

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Chemical structure download