Summary

IMPPAT Phytochemical identifier: IMPHY016851

Phytochemical name: Selina-4,11-dien-14-al

Synonymous chemical names:
selina-4,11-dien-14-al

External chemical identifiers:
CID:529461

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Chemical structure information

SMILES:
O=CC1=C2CC(CCC2(CCC1)C)C(=C)C

InChI:
InChI=1S/C15H22O/c1-11(2)12-6-8-15(3)7-4-5-13(10-16)14(15)9-12/h10,12H,1,4-9H2,2-3H3

InChIKey:
VNYQZKHAWVXJCR-UHFFFAOYSA-N

DeepSMILES:
O=CC=CCCCCC6CCC%10)))C))))C=C)C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=C2CCCCC2CCC1

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: 2.788

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Chemical structure download