Summary

IMPPAT Phytochemical identifier: IMPHY011581

Phytochemical name: alpha-Selinene

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

External chemical identifiers:
CID:10856614, ChEBI:59961, FDASRS:99ZHA8F274, SureChEMBL:SCHEMBL567659

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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-/m1/s1

InChIKey:
OZQAPQSEYFAMCY-QLFBSQMISA-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