Summary

IMPPAT Phytochemical identifier: IMPHY014504

Phytochemical name: Selina-1,3,7(11)-trien-8-one

Synonymous chemical names:
selina-1,3,7(11)-trien-8-one

External chemical identifiers:
CID:91746501

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Chemical structure information

SMILES:
CC1=CC=C[C@]2(C1CC(=C(C)C)C(=O)C2)C

InChI:
InChI=1S/C15H20O/c1-10(2)12-8-13-11(3)6-5-7-15(13,4)9-14(12)16/h5-7,13H,8-9H2,1-4H3/t13?,15-/m1/s1

InChIKey:
DVGWOFUZNUYQPS-AWKYBWMHSA-N

DeepSMILES:
CC=CC=C[C@]C6CC=CC)C))C=O)C6)))))C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CC2C=CC=CC2CC1=O

Scaffold Graph/Node level:
CC1CC2CCCCC2CC1O

Scaffold Graph level:
CC1CC2CCCCC2CC1C

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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: 2.883

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Chemical structure download