Summary

IMPPAT Phytochemical identifier: IMPHY014960

Phytochemical name: (+)-Longifolene

Synonymous chemical names:
(+)-longifolene, junipen, junipene, junipene (=longifolene)

External chemical identifiers:
CID:1796220, ChEMBL:CHEMBL519092, ChEBI:49282, ZINC:ZINC000002140511, FDASRS:3YXH7YY8WM, SureChEMBL:SCHEMBL3693901, MolPort-046-196-927

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Chemical structure information

SMILES:
C=C1[C@H]2CC[C@H]3[C@]1(C)CCCC([C@@H]23)(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/t11-,12-,13+,15-/m1/s1

InChIKey:
PDSNLYSELAIEBU-GUIRCDHDSA-N

DeepSMILES:
C=C[C@H]CC[C@H][C@]6C)CCCC[C@@H]%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