Summary

IMPPAT Phytochemical identifier: IMPHY004372

Phytochemical name: Selina-4(15),7(11)-diene

Synonymous chemical names:
gamma selinene, gamma-selinene, selina-4(14),7(11)-diene, selina-4(15),7(11)-diene, selinα-4(15),7(11)-diene, γ-selinene

External chemical identifiers:
CID:10655819, ChEBI:138051, ZINC:ZINC000085644707, SureChEMBL:SCHEMBL192759

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Chemical structure information

SMILES:
C=C1CCC[C@]2([C@H]1CC(=C(C)C)CC2)C

InChI:
InChI=1S/C15H24/c1-11(2)13-7-9-15(4)8-5-6-12(3)14(15)10-13/h14H,3,5-10H2,1-2,4H3/t14-,15+/m0/s1

InChIKey:
RMZHSBMIZBMVMN-LSDHHAIUSA-N

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

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CCC2CCCC(=C)C2C1

Scaffold Graph/Node level:
CC1CCC2CCCC(C)C2C1

Scaffold Graph level:
CC1CCC2CCCC(C)C2C1

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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: 3.099

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Chemical structure download