Summary

IMPPAT Phytochemical identifier: IMPHY016845

Phytochemical name: Selina-1,3,5(11)-trien-8-one

Synonymous chemical names:
selina-1,3,5(11)-trien-8-one

External chemical identifiers:
CID:91752258

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Chemical structure information

SMILES:
CC([C@H]1C=C2C(=CC=C[C@@]2(CC1=O)C)C)C

InChI:
InChI=1S/C15H20O/c1-10(2)12-8-13-11(3)6-5-7-15(13,4)9-14(12)16/h5-8,10,12H,9H2,1-4H3/t12-,15-/m1/s1

InChIKey:
ZJWXBZANERDOCV-IUODEOHRSA-N

DeepSMILES:
CC[C@H]C=CC=CC=C[C@@]6CC%10=O)))C)))))C)))))C

Functional groups:
CC(C)=O, CC1=CC=CCC1=CC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CC=C2C=CC=CC2C1

Scaffold Graph/Node level:
OC1CCC2CCCCC2C1

Scaffold Graph level:
CC1CCC2CCCCC2C1

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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: 1.669

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Chemical structure download