Summary

IMPPAT Phytochemical identifier: IMPHY011894

Phytochemical name: (-)-7-Epi-alpha-selinene

Synonymous chemical names:
7-epi- α -selinene, 7-epi- α-selinene, 7-epi-a-selinene, 7-epi-alpha-selinene, 7-epi-α -selinene, 7-epi-α-selinene, selinene (7-epi-alpha)

External chemical identifiers:
CID:10726905, ChEBI:62224, ZINC:ZINC000071404509, SureChEMBL:SCHEMBL17627664

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Chemical structure information

SMILES:
CC1=CCC[C@]2([C@H]1C[C@H](CC2)C(=C)C)C

InChI:
InChI=1S/C15H24/c1-11(2)13-7-9-15(4)8-5-6-12(3)14(15)10-13/h6,13-14H,1,5,7-10H2,2-4H3/t13-,14-,15+/m0/s1

InChIKey:
OZQAPQSEYFAMCY-SOUVJXGZSA-N

DeepSMILES:
CC=CCC[C@][C@H]6C[C@H]CC6))C=C)C)))))C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CC2CCCCC2CC1

Scaffold Graph/Node level:
C1CCC2CCCCC2C1

Scaffold Graph level:
C1CCC2CCCCC2C1

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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: Eudesmane sesquiterpenoids

NP-Likeness score: 3.247

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Chemical structure download